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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 17:53:18 UTC

Update Date

2022-03-07 02:53:33 UTC

HMDB ID

HMDB0033023

Secondary Accession Numbers

HMDB33023

Metabolite Identification

Common Name

7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid

Description

Pelargonidin 3-O-[4-Hydroxy-3-methoxy-E-cinnamoyl-(->4)-a-L-rhamnopyranosyl-(1->6)-b-D-glucopyranoside] 5-O-b-D-glucopyranoside, also known as 3,4',5,7-tetrahydroxyflavylium(1+), 8CI, belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Pelargonidin 3-O-[4-Hydroxy-3-methoxy-E-cinnamoyl-(->4)-a-L-rhamnopyranosyl-(1->6)-b-D-glucopyranoside] 5-O-b-D-glucopyranoside is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, Pelargonidin 3-O-[4-Hydroxy-3-methoxy-E-cinnamoyl-(->4)-a-L-rhamnopyranosyl-(1->6)-b-D-glucopyranoside] 5-O-b-D-glucopyranoside has been detected, but not quantified in, alcoholic beverages and potato. This could make pelargonidin 3-O-[4-hydroxy-3-methoxy-e-cinnamoyl-(->4)-a-L-rhamnopyranosyl-(1->6)-b-D-glucopyranoside] 5-O-b-D-glucopyranoside a potential biomarker for the consumption of these foods.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI


  Mrv0541 05061306522D          

 38 41  0  0  0  0            999 V2000
    1.1875    3.7235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0454    3.7235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1684   -1.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9479   -2.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4289   -0.5168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1714    1.9205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2407    1.4078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0810   -2.0860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1740   -1.3014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9019    2.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3309    2.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2807    2.8216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7371   -0.2467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875    2.8985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0454    2.8985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6164    2.8985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4730    2.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4821    0.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1850   -0.8598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8879   -2.2575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8327    2.2085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6751    0.7094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1231    0.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6839    0.2678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9388    1.0525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7598    2.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4400   -1.6445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3780   -0.6883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3868    1.6656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4202    1.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6164    3.7235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0341    1.1510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1429   -3.0422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6532    2.2947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2359   -0.3453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7458    1.2240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4743    2.8985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7598    1.6610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  9  8  1  0  0  0  0
 14  1  1  0  0  0  0
 14 10  1  0  0  0  0
 15  2  1  0  0  0  0
 15 11  1  0  0  0  0
 16 10  1  0  0  0  0
 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
 17 14  1  0  0  0  0
 18 13  1  0  0  0  0
 19 13  1  0  0  0  0
 20  8  1  0  0  0  0
 21 12  1  0  0  0  0
 22 18  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 15  1  0  0  0  0
 27  3  1  0  0  0  0
 27  4  1  0  0  0  0
 27 19  1  0  0  0  0
 27 20  1  0  0  0  0
 28  5  1  0  0  0  0
 28  9  1  0  0  0  0
 28 19  1  0  0  0  0
 28 23  1  0  0  0  0
 29  6  1  0  0  0  0
 29 17  1  0  0  0  0
 29 25  1  0  0  0  0
 30  7  1  0  0  0  0
 30 21  1  0  0  0  0
 30 22  1  0  0  0  0
 30 29  1  0  0  0  0
 31 16  2  0  0  0  0
 32 18  1  0  0  0  0
 33 20  2  0  0  0  0
 34 21  2  0  0  0  0
 35 24  2  0  0  0  0
 36 25  1  0  0  0  0
 37 26  2  0  0  0  0
 38 26  1  0  0  0  0
M  END

HMDB0033023
     RDKit          3D
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid
 80 83  0  0  0  0  0  0  0  0999 V2000
    8.1460    1.3581    0.1662 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0526   -0.1017   -0.1551 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8008   -0.4750   -0.8874 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5713   -0.1600   -0.1268 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7008    0.3509    0.9669 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2471   -0.4768   -0.7226 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1005   -0.1129    0.2012 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2459   -0.8853    1.4472 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8433   -0.2272   -0.5526 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5708   -1.6149   -1.0929 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1079   -1.5605   -1.4219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5228   -2.4945   -1.8889 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3996   -0.2010   -1.0806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2595    0.7341   -2.2575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7918   -0.3118   -0.6113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2039    0.1377    0.5773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083    0.0995    1.6454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4613    0.5511    2.7654 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1005   -0.5211    1.2536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1636   -1.8711    1.0587 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5732    0.1866    0.0444 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4082    1.6859    0.2072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5732    0.6265    0.7517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8959    0.9206    2.1761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7028    1.9226   -0.0301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0955    2.3993   -0.1926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1458    1.4280    0.0966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2932    1.8392    0.2323 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9502   -0.0386    0.2444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7163   -0.6802   -0.9218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5829   -0.5778    1.5101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5051   -0.3847    0.1269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1605   -0.4861   -1.3512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7498   -0.9740   -1.5618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3887   -0.8059   -2.8769 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2532   -0.9575    1.0611 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3296   -1.7233    1.4054 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4261   -0.9111    1.7934 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9686    1.8789   -0.3459 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2056    1.8406   -0.1789 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1978    1.4882    1.2672 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9102   -0.3486   -0.8310 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8555   -1.5711   -1.0948 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7660    0.1064   -1.8323 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1801   -1.5719   -0.9019 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1934    0.0666   -1.6860 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2783    0.9767    0.4522 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2472   -1.3632    1.5144 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5575   -1.7833    1.4039 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -0.3186    2.3871 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9745    0.4017   -1.4907 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0869   -1.7685   -2.0862 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8061   -2.4140   -0.3843 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4170    1.5858   -2.0616 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1523    0.1893   -3.1341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2569    1.2005   -2.4874 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7364   -0.4302    2.1470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5120   -2.2189    1.9239 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2335    2.2062   -0.2988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5377    2.0617   -0.2365 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3414    1.9503    1.2944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3615    1.8684    2.4589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7495    0.1032    2.8777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9863    1.2041    2.2565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1459    2.6949    0.5753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1228    1.8721   -0.9951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2208    2.7138   -1.2706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2975    3.3422    0.3885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5819   -1.7606   -0.9618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5451   -0.1349   -1.8502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8026   -0.5111   -0.6611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1589    0.2057    2.0603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7987   -1.0498    2.1448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3212   -1.3895    1.3072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2777   -1.3902    0.5650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3043    0.4615   -1.8806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8266   -1.2338   -1.8561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7523   -2.0607   -1.2514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7058   -1.6257   -3.3692 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3294   -1.1609    1.4671 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
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 17 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 16 23  1  0
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 26 27  1  0
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 27 29  1  0
 29 30  1  0
 29 31  1  0
 29 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
  2 36  1  0
 36 37  2  0
 36 38  1  0
 21  9  1  0
 32 23  1  0
 21 13  1  0
 34 15  1  0
  1 39  1  0
  1 40  1  0
  1 41  1  0
  2 42  1  0
  3 43  1  0
  3 44  1  0
  6 45  1  0
  6 46  1  0
  7 47  1  0
  8 48  1  0
  8 49  1  0
  8 50  1  0
  9 51  1  0
 10 52  1  0
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 14 54  1  0
 14 55  1  0
 14 56  1  0
 19 57  1  0
 20 58  1  0
 22 59  1  0
 22 60  1  0
 22 61  1  0
 24 62  1  0
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 25 66  1  0
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 26 68  1  0
 30 69  1  0
 30 70  1  0
 30 71  1  0
 31 72  1  0
 31 73  1  0
 31 74  1  0
 32 75  1  0
 33 76  1  0
 33 77  1  0
 34 78  1  0
 35 79  1  0
 38 80  1  0
M  END


  Mrv0541 05061306522D          

 38 41  0  0  0  0            999 V2000
    1.1875    3.7235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0454    3.7235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1684   -1.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9479   -2.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4289   -0.5168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1714    1.9205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2407    1.4078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0810   -2.0860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1740   -1.3014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9019    2.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3309    2.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2807    2.8216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7371   -0.2467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875    2.8985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0454    2.8985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6164    2.8985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4730    2.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4821    0.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1850   -0.8598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8879   -2.2575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8327    2.2085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6751    0.7094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1231    0.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6839    0.2678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9388    1.0525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7598    2.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4400   -1.6445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3780   -0.6883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3868    1.6656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4202    1.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6164    3.7235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0341    1.1510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1429   -3.0422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6532    2.2947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2359   -0.3453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7458    1.2240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4743    2.8985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7598    1.6610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  9  8  1  0  0  0  0
 14  1  1  0  0  0  0
 14 10  1  0  0  0  0
 15  2  1  0  0  0  0
 15 11  1  0  0  0  0
 16 10  1  0  0  0  0
 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
 17 14  1  0  0  0  0
 18 13  1  0  0  0  0
 19 13  1  0  0  0  0
 20  8  1  0  0  0  0
 21 12  1  0  0  0  0
 22 18  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 15  1  0  0  0  0
 27  3  1  0  0  0  0
 27  4  1  0  0  0  0
 27 19  1  0  0  0  0
 27 20  1  0  0  0  0
 28  5  1  0  0  0  0
 28  9  1  0  0  0  0
 28 19  1  0  0  0  0
 28 23  1  0  0  0  0
 29  6  1  0  0  0  0
 29 17  1  0  0  0  0
 29 25  1  0  0  0  0
 30  7  1  0  0  0  0
 30 21  1  0  0  0  0
 30 22  1  0  0  0  0
 30 29  1  0  0  0  0
 31 16  2  0  0  0  0
 32 18  1  0  0  0  0
 33 20  2  0  0  0  0
 34 21  2  0  0  0  0
 35 24  2  0  0  0  0
 36 25  1  0  0  0  0
 37 26  2  0  0  0  0
 38 26  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0033023

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(CC(=O)CC(C)C(O)=O)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O

> <INCHI_IDENTIFIER>
InChI=1S/C30H42O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h14-15,17-19,25,32,36H,8-13H2,1-7H3,(H,37,38)

> <INCHI_KEY>
LCIUOVOXWPIXOR-UHFFFAOYSA-N

> <FORMULA>
C30H42O8

> <MOLECULAR_WEIGHT>
530.6497

> <EXACT_MASS>
530.28796832

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
57.38856164597729

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
6-{9,16-dihydroxy-2,6,6,11,15-pentamethyl-5,12,17-trioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl}-2-methyl-4-oxoheptanoic acid

> <ALOGPS_LOGP>
3.06

> <JCHEM_LOGP>
3.151751149333334

> <ALOGPS_LOGS>
-4.34

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
12.894088184723877

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.1614632195476675

> <JCHEM_PKA_STRONGEST_BASIC>
-3.012678721500378

> <JCHEM_POLAR_SURFACE_AREA>
146.04

> <JCHEM_REFRACTIVITY>
139.44519999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.44e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
6-{9,16-dihydroxy-2,6,6,11,15-pentamethyl-5,12,17-trioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl}-2-methyl-4-oxoheptanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0033023
     RDKit          3D
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid
 80 83  0  0  0  0  0  0  0  0999 V2000
    8.1460    1.3581    0.1662 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0526   -0.1017   -0.1551 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8008   -0.4750   -0.8874 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5713   -0.1600   -0.1268 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7008    0.3509    0.9669 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2471   -0.4768   -0.7226 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1005   -0.1129    0.2012 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2459   -0.8853    1.4472 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8433   -0.2272   -0.5526 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5708   -1.6149   -1.0929 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1079   -1.5605   -1.4219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5228   -2.4945   -1.8889 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3996   -0.2010   -1.0806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2595    0.7341   -2.2575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7918   -0.3118   -0.6113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2039    0.1377    0.5773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083    0.0995    1.6454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4613    0.5511    2.7654 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1005   -0.5211    1.2536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1636   -1.8711    1.0587 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5732    0.1866    0.0444 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4082    1.6859    0.2072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5732    0.6265    0.7517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8959    0.9206    2.1761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7028    1.9226   -0.0301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0955    2.3993   -0.1926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1458    1.4280    0.0966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2932    1.8392    0.2323 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9502   -0.0386    0.2444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7163   -0.6802   -0.9218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5829   -0.5778    1.5101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5051   -0.3847    0.1269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1605   -0.4861   -1.3512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7498   -0.9740   -1.5618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3887   -0.8059   -2.8769 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2532   -0.9575    1.0611 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3296   -1.7233    1.4054 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4261   -0.9111    1.7934 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9686    1.8789   -0.3459 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2056    1.8406   -0.1789 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1978    1.4882    1.2672 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9102   -0.3486   -0.8310 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8555   -1.5711   -1.0948 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7660    0.1064   -1.8323 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1801   -1.5719   -0.9019 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1934    0.0666   -1.6860 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2783    0.9767    0.4522 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2472   -1.3632    1.5144 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5575   -1.7833    1.4039 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -0.3186    2.3871 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9745    0.4017   -1.4907 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0869   -1.7685   -2.0862 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8061   -2.4140   -0.3843 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4170    1.5858   -2.0616 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1523    0.1893   -3.1341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2569    1.2005   -2.4874 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7364   -0.4302    2.1470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5120   -2.2189    1.9239 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2335    2.2062   -0.2988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5377    2.0617   -0.2365 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3414    1.9503    1.2944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3615    1.8684    2.4589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7495    0.1032    2.8777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9863    1.2041    2.2565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1459    2.6949    0.5753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1228    1.8721   -0.9951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2208    2.7138   -1.2706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2975    3.3422    0.3885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5819   -1.7606   -0.9618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5451   -0.1349   -1.8502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8026   -0.5111   -0.6611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1589    0.2057    2.0603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7987   -1.0498    2.1448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3212   -1.3895    1.3072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2777   -1.3902    0.5650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3043    0.4615   -1.8806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8266   -1.2338   -1.8561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7523   -2.0607   -1.2514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7058   -1.6257   -3.3692 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3294   -1.1609    1.4671 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 16 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  2  0
 27 29  1  0
 29 30  1  0
 29 31  1  0
 29 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
  2 36  1  0
 36 37  2  0
 36 38  1  0
 21  9  1  0
 32 23  1  0
 21 13  1  0
 34 15  1  0
  1 39  1  0
  1 40  1  0
  1 41  1  0
  2 42  1  0
  3 43  1  0
  3 44  1  0
  6 45  1  0
  6 46  1  0
  7 47  1  0
  8 48  1  0
  8 49  1  0
  8 50  1  0
  9 51  1  0
 10 52  1  0
 10 53  1  0
 14 54  1  0
 14 55  1  0
 14 56  1  0
 19 57  1  0
 20 58  1  0
 22 59  1  0
 22 60  1  0
 22 61  1  0
 24 62  1  0
 24 63  1  0
 24 64  1  0
 25 65  1  0
 25 66  1  0
 26 67  1  0
 26 68  1  0
 30 69  1  0
 30 70  1  0
 30 71  1  0
 31 72  1  0
 31 73  1  0
 31 74  1  0
 32 75  1  0
 33 76  1  0
 33 77  1  0
 34 78  1  0
 35 79  1  0
 38 80  1  0
M  END

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0       2.217   6.951   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       7.551   6.951   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -4.048  -2.347   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -3.636  -4.283   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.801  -0.965   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.187   3.585   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -2.316   2.628   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.151  -3.894   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.325  -2.429   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.550   4.641   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.218   4.641   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -0.524   5.267   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -3.243  -0.461   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.217   5.411   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       7.551   5.411   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.884   5.411   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.883   4.641   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -2.767   1.004   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -2.212  -1.605   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -1.657  -4.214   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -1.554   4.123   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -1.260   1.324   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -0.230   0.180   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       1.277   0.500   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       1.752   1.965   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       8.885   4.641   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -2.688  -3.070   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -0.706  -1.285   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       0.722   3.109   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -0.784   2.789   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       4.884   6.951   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      -3.797   2.149   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      -2.133  -5.679   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      -3.086   4.283   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       2.307  -0.645   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       3.259   2.285   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0      10.219   5.411   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0       8.885   3.101   0.000  0.00  0.00           O+0
CONECT    1   14                                                            
CONECT    2   15                                                            
CONECT    3   27                                                            
CONECT    4   27                                                            
CONECT    5   28                                                            
CONECT    6   29                                                            
CONECT    7   30                                                            
CONECT    8    9   20                                                       
CONECT    9    8   28                                                       
CONECT   10   14   16                                                       
CONECT   11   15   16                                                       
CONECT   12   17   21                                                       
CONECT   13   18   19                                                       
CONECT   14    1   10   17                                                  
CONECT   15    2   11   26                                                  
CONECT   16   10   11   31                                                  
CONECT   17   12   14   29                                                  
CONECT   18   13   22   32                                                  
CONECT   19   13   27   28                                                  
CONECT   20    8   27   33                                                  
CONECT   21   12   30   34                                                  
CONECT   22   18   23   30                                                  
CONECT   23   22   24   28                                                  
CONECT   24   23   25   35                                                  
CONECT   25   24   29   36                                                  
CONECT   26   15   37   38                                                  
CONECT   27    3    4   19   20                                             
CONECT   28    5    9   19   23                                             
CONECT   29    6   17   25   30                                             
CONECT   30    7   21   22   29                                             
CONECT   31   16                                                            
CONECT   32   18                                                            
CONECT   33   20                                                            
CONECT   34   21                                                            
CONECT   35   24                                                            
CONECT   36   25                                                            
CONECT   37   26                                                            
CONECT   38   26                                                            
MASTER        0    0    0    0    0    0    0    0   38    0   82    0
END

COMPND    HMDB0033023
HETATM    1  C1  UNL     1       8.146   1.358   0.166  1.00  0.00           C  
HETATM    2  C2  UNL     1       8.053  -0.102  -0.155  1.00  0.00           C  
HETATM    3  C3  UNL     1       6.801  -0.475  -0.887  1.00  0.00           C  
HETATM    4  C4  UNL     1       5.571  -0.160  -0.127  1.00  0.00           C  
HETATM    5  O1  UNL     1       5.701   0.351   0.967  1.00  0.00           O  
HETATM    6  C5  UNL     1       4.247  -0.477  -0.723  1.00  0.00           C  
HETATM    7  C6  UNL     1       3.101  -0.113   0.201  1.00  0.00           C  
HETATM    8  C7  UNL     1       3.246  -0.885   1.447  1.00  0.00           C  
HETATM    9  C8  UNL     1       1.843  -0.227  -0.553  1.00  0.00           C  
HETATM   10  C9  UNL     1       1.571  -1.615  -1.093  1.00  0.00           C  
HETATM   11  C10 UNL     1       0.108  -1.560  -1.422  1.00  0.00           C  
HETATM   12  O2  UNL     1      -0.523  -2.495  -1.889  1.00  0.00           O  
HETATM   13  C11 UNL     1      -0.400  -0.201  -1.081  1.00  0.00           C  
HETATM   14  C12 UNL     1      -0.259   0.734  -2.258  1.00  0.00           C  
HETATM   15  C13 UNL     1      -1.792  -0.312  -0.611  1.00  0.00           C  
HETATM   16  C14 UNL     1      -2.204   0.138   0.577  1.00  0.00           C  
HETATM   17  C15 UNL     1      -1.208   0.099   1.645  1.00  0.00           C  
HETATM   18  O3  UNL     1      -1.461   0.551   2.765  1.00  0.00           O  
HETATM   19  C16 UNL     1       0.100  -0.521   1.254  1.00  0.00           C  
HETATM   20  O4  UNL     1      -0.164  -1.871   1.059  1.00  0.00           O  
HETATM   21  C17 UNL     1       0.573   0.187   0.044  1.00  0.00           C  
HETATM   22  C18 UNL     1       0.408   1.686   0.207  1.00  0.00           C  
HETATM   23  C19 UNL     1      -3.573   0.626   0.752  1.00  0.00           C  
HETATM   24  C20 UNL     1      -3.896   0.921   2.176  1.00  0.00           C  
HETATM   25  C21 UNL     1      -3.703   1.923  -0.030  1.00  0.00           C  
HETATM   26  C22 UNL     1      -5.096   2.399  -0.193  1.00  0.00           C  
HETATM   27  C23 UNL     1      -6.146   1.428   0.097  1.00  0.00           C  
HETATM   28  O5  UNL     1      -7.293   1.839   0.232  1.00  0.00           O  
HETATM   29  C24 UNL     1      -5.950  -0.039   0.244  1.00  0.00           C  
HETATM   30  C25 UNL     1      -6.716  -0.680  -0.922  1.00  0.00           C  
HETATM   31  C26 UNL     1      -6.583  -0.578   1.510  1.00  0.00           C  
HETATM   32  C27 UNL     1      -4.505  -0.385   0.127  1.00  0.00           C  
HETATM   33  C28 UNL     1      -4.161  -0.486  -1.351  1.00  0.00           C  
HETATM   34  C29 UNL     1      -2.750  -0.974  -1.562  1.00  0.00           C  
HETATM   35  O6  UNL     1      -2.389  -0.806  -2.877  1.00  0.00           O  
HETATM   36  C30 UNL     1       8.253  -0.957   1.061  1.00  0.00           C  
HETATM   37  O7  UNL     1       7.330  -1.723   1.405  1.00  0.00           O  
HETATM   38  O8  UNL     1       9.426  -0.911   1.793  1.00  0.00           O  
HETATM   39  H1  UNL     1       8.969   1.879  -0.346  1.00  0.00           H  
HETATM   40  H2  UNL     1       7.206   1.841  -0.179  1.00  0.00           H  
HETATM   41  H3  UNL     1       8.198   1.488   1.267  1.00  0.00           H  
HETATM   42  H4  UNL     1       8.910  -0.349  -0.831  1.00  0.00           H  
HETATM   43  H5  UNL     1       6.856  -1.571  -1.095  1.00  0.00           H  
HETATM   44  H6  UNL     1       6.766   0.106  -1.832  1.00  0.00           H  
HETATM   45  H7  UNL     1       4.180  -1.572  -0.902  1.00  0.00           H  
HETATM   46  H8  UNL     1       4.193   0.067  -1.686  1.00  0.00           H  
HETATM   47  H9  UNL     1       3.278   0.977   0.452  1.00  0.00           H  
HETATM   48  H10 UNL     1       4.247  -1.363   1.514  1.00  0.00           H  
HETATM   49  H11 UNL     1       2.558  -1.783   1.404  1.00  0.00           H  
HETATM   50  H12 UNL     1       3.121  -0.319   2.387  1.00  0.00           H  
HETATM   51  H13 UNL     1       1.974   0.402  -1.491  1.00  0.00           H  
HETATM   52  H14 UNL     1       2.087  -1.769  -2.086  1.00  0.00           H  
HETATM   53  H15 UNL     1       1.806  -2.414  -0.384  1.00  0.00           H  
HETATM   54  H16 UNL     1       0.417   1.586  -2.062  1.00  0.00           H  
HETATM   55  H17 UNL     1       0.152   0.189  -3.134  1.00  0.00           H  
HETATM   56  H18 UNL     1      -1.257   1.201  -2.487  1.00  0.00           H  
HETATM   57  H19 UNL     1       0.736  -0.430   2.147  1.00  0.00           H  
HETATM   58  H20 UNL     1      -0.512  -2.219   1.924  1.00  0.00           H  
HETATM   59  H21 UNL     1       1.234   2.206  -0.299  1.00  0.00           H  
HETATM   60  H22 UNL     1      -0.538   2.062  -0.236  1.00  0.00           H  
HETATM   61  H23 UNL     1       0.341   1.950   1.294  1.00  0.00           H  
HETATM   62  H24 UNL     1      -3.362   1.868   2.459  1.00  0.00           H  
HETATM   63  H25 UNL     1      -3.749   0.103   2.878  1.00  0.00           H  
HETATM   64  H26 UNL     1      -4.986   1.204   2.256  1.00  0.00           H  
HETATM   65  H27 UNL     1      -3.146   2.695   0.575  1.00  0.00           H  
HETATM   66  H28 UNL     1      -3.123   1.872  -0.995  1.00  0.00           H  
HETATM   67  H29 UNL     1      -5.221   2.714  -1.271  1.00  0.00           H  
HETATM   68  H30 UNL     1      -5.297   3.342   0.389  1.00  0.00           H  
HETATM   69  H31 UNL     1      -6.582  -1.761  -0.962  1.00  0.00           H  
HETATM   70  H32 UNL     1      -6.545  -0.135  -1.850  1.00  0.00           H  
HETATM   71  H33 UNL     1      -7.803  -0.511  -0.661  1.00  0.00           H  
HETATM   72  H34 UNL     1      -7.159   0.206   2.060  1.00  0.00           H  
HETATM   73  H35 UNL     1      -5.799  -1.050   2.145  1.00  0.00           H  
HETATM   74  H36 UNL     1      -7.321  -1.389   1.307  1.00  0.00           H  
HETATM   75  H37 UNL     1      -4.278  -1.390   0.565  1.00  0.00           H  
HETATM   76  H38 UNL     1      -4.304   0.461  -1.881  1.00  0.00           H  
HETATM   77  H39 UNL     1      -4.827  -1.234  -1.856  1.00  0.00           H  
HETATM   78  H40 UNL     1      -2.752  -2.061  -1.251  1.00  0.00           H  
HETATM   79  H41 UNL     1      -2.706  -1.626  -3.369  1.00  0.00           H  
HETATM   80  H42 UNL     1      10.329  -1.161   1.467  1.00  0.00           H  
CONECT    1    2   39   40   41
CONECT    2    3   36   42
CONECT    3    4   43   44
CONECT    4    5    5    6
CONECT    6    7   45   46
CONECT    7    8    9   47
CONECT    8   48   49   50
CONECT    9   10   21   51
CONECT   10   11   52   53
CONECT   11   12   12   13
CONECT   13   14   15   21
CONECT   14   54   55   56
CONECT   15   16   16   34
CONECT   16   17   23
CONECT   17   18   18   19
CONECT   19   20   21   57
CONECT   20   58
CONECT   21   22
CONECT   22   59   60   61
CONECT   23   24   25   32
CONECT   24   62   63   64
CONECT   25   26   65   66
CONECT   26   27   67   68
CONECT   27   28   28   29
CONECT   29   30   31   32
CONECT   30   69   70   71
CONECT   31   72   73   74
CONECT   32   33   75
CONECT   33   34   76   77
CONECT   34   35   78
CONECT   35   79
CONECT   36   37   37   38
CONECT   38   80
END

HMDB0033023
     RDKit          3D
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid
 80 83  0  0  0  0  0  0  0  0999 V2000
    8.1460    1.3581    0.1662 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0526   -0.1017   -0.1551 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8008   -0.4750   -0.8874 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5713   -0.1600   -0.1268 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7008    0.3509    0.9669 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2471   -0.4768   -0.7226 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1005   -0.1129    0.2012 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2459   -0.8853    1.4472 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8433   -0.2272   -0.5526 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5708   -1.6149   -1.0929 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1079   -1.5605   -1.4219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5228   -2.4945   -1.8889 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3996   -0.2010   -1.0806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2595    0.7341   -2.2575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7918   -0.3118   -0.6113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2039    0.1377    0.5773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083    0.0995    1.6454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4613    0.5511    2.7654 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1005   -0.5211    1.2536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1636   -1.8711    1.0587 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5732    0.1866    0.0444 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4082    1.6859    0.2072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5732    0.6265    0.7517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8959    0.9206    2.1761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7028    1.9226   -0.0301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0955    2.3993   -0.1926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1458    1.4280    0.0966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2932    1.8392    0.2323 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9502   -0.0386    0.2444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7163   -0.6802   -0.9218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5829   -0.5778    1.5101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5051   -0.3847    0.1269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1605   -0.4861   -1.3512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7498   -0.9740   -1.5618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3887   -0.8059   -2.8769 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2532   -0.9575    1.0611 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3296   -1.7233    1.4054 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4261   -0.9111    1.7934 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9686    1.8789   -0.3459 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2056    1.8406   -0.1789 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1978    1.4882    1.2672 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9102   -0.3486   -0.8310 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8555   -1.5711   -1.0948 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7660    0.1064   -1.8323 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1801   -1.5719   -0.9019 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1934    0.0666   -1.6860 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2783    0.9767    0.4522 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2472   -1.3632    1.5144 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5575   -1.7833    1.4039 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -0.3186    2.3871 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9745    0.4017   -1.4907 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0869   -1.7685   -2.0862 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8061   -2.4140   -0.3843 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4170    1.5858   -2.0616 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1523    0.1893   -3.1341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2569    1.2005   -2.4874 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7364   -0.4302    2.1470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5120   -2.2189    1.9239 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2335    2.2062   -0.2988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5377    2.0617   -0.2365 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3414    1.9503    1.2944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3615    1.8684    2.4589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7495    0.1032    2.8777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9863    1.2041    2.2565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1459    2.6949    0.5753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1228    1.8721   -0.9951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2208    2.7138   -1.2706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2975    3.3422    0.3885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5819   -1.7606   -0.9618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5451   -0.1349   -1.8502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8026   -0.5111   -0.6611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1589    0.2057    2.0603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7987   -1.0498    2.1448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3212   -1.3895    1.3072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2777   -1.3902    0.5650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3043    0.4615   -1.8806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8266   -1.2338   -1.8561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7523   -2.0607   -1.2514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7058   -1.6257   -3.3692 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3294   -1.1609    1.4671 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 16 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  2  0
 27 29  1  0
 29 30  1  0
 29 31  1  0
 29 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
  2 36  1  0
 36 37  2  0
 36 38  1  0
 21  9  1  0
 32 23  1  0
 21 13  1  0
 34 15  1  0
  1 39  1  0
  1 40  1  0
  1 41  1  0
  2 42  1  0
  3 43  1  0
  3 44  1  0
  6 45  1  0
  6 46  1  0
  7 47  1  0
  8 48  1  0
  8 49  1  0
  8 50  1  0
  9 51  1  0
 10 52  1  0
 10 53  1  0
 14 54  1  0
 14 55  1  0
 14 56  1  0
 19 57  1  0
 20 58  1  0
 22 59  1  0
 22 60  1  0
 22 61  1  0
 24 62  1  0
 24 63  1  0
 24 64  1  0
 25 65  1  0
 25 66  1  0
 26 67  1  0
 26 68  1  0
 30 69  1  0
 30 70  1  0
 30 71  1  0
 31 72  1  0
 31 73  1  0
 31 74  1  0
 32 75  1  0
 33 76  1  0
 33 77  1  0
 34 78  1  0
 35 79  1  0
 38 80  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
3,4',5,7-Tetrahydroxyflavylium(1+), 8ci	HMDB
3-O-[4-Hydroxy-3-methoxy-e-cinnamoyl-(->4)-a-L-rhamnopyranosyl-(1->6)-b-D-glucopyranoside], 5-O-b-D-glucopyranoside	HMDB
7,12-Dihydroxy-3,11,15,23-tetraoxo-(7beta,12beta)-lanost-8-en-26-Oic acid	HMDB
6-{9,16-dihydroxy-2,6,6,11,15-pentamethyl-5,12,17-trioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl}-2-methyl-4-oxoheptanoate	Generator
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-Oate	Generator

Chemical Formula

C₃₀H₄₂O₈

Average Molecular Weight

530.6497

Monoisotopic Molecular Weight

530.28796832

IUPAC Name

6-{9,16-dihydroxy-2,6,6,11,15-pentamethyl-5,12,17-trioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl}-2-methyl-4-oxoheptanoic acid

Traditional Name

6-{9,16-dihydroxy-2,6,6,11,15-pentamethyl-5,12,17-trioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl}-2-methyl-4-oxoheptanoic acid

CAS Registry Number

97653-94-6

SMILES

CC(CC(=O)CC(C)C(O)=O)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O

InChI Identifier

InChI=1S/C30H42O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h14-15,17-19,25,32,36H,8-13H2,1-7H3,(H,37,38)

InChI Key

LCIUOVOXWPIXOR-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Phenolic glycosides

Alternative Parents

Substituents

Phenolic glycoside
Hydroxycinnamic acid or derivatives
Hydroxycinnamic acid
Coumaric acid or derivatives
Cinnamic acid or derivatives
Cinnamic acid
O-glycosyl compound
Disaccharide
1-benzopyran
Methoxyphenol
Benzopyran
Anisole
P-quinomethane
Styrene
Quinomethane
Phenoxy compound
Phenol ether
Methoxybenzene
Alkyl aryl ether
1-hydroxy-2-unsubstituted benzenoid
Phenol
Monocyclic benzene moiety
Benzenoid
Oxane
Ketone
Cyclic ketone
Secondary alcohol
Monocarboxylic acid or derivatives
Polyol
Acetal
Oxacycle
Carboximidic acid
Carboxylic acid derivative
Organoheterocyclic compound
Ether
Organic oxide
Hydrocarbon derivative
Alcohol
Primary alcohol
Carbonyl group
Organic cation
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0033023)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0033023)

Source

Endogenous

Endogenous (HMDB: HMDB0033023)

Plant

Plant (HMDB: HMDB0033023)

Animal

Animal (HMDB: HMDB0033023)

Exogenous

Food

Food (HMDB: HMDB0033023)

Vegetable

Mushroom

Process

Naturally occurring process

Biological process

Chemical reaction

Lipid peroxidation (HMDB: HMDB0033023)

Biochemical process

Fatty acid metabolism (HMDB: HMDB0033023)

Cellular process

Cell signaling (HMDB: HMDB0033023)

Biochemical pathway

Lipid metabolism pathway (HMDB: HMDB0033023)

Role

Biological role

Membrane stabilizer (HMDB: HMDB0033023)

Nutrient

Nutrient (HMDB: HMDB0033023)

Industrial application

Manufacturing industry

Material processing agent

Fluid processing agent

Surfactant

Surfactant (HMDB: HMDB0033023)

Emulsifier (HMDB: HMDB0033023)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	201 - 203 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.024 g/L	ALOGPS
logP	3.06	ALOGPS
logP	3.15	ChemAxon
logS	-4.3	ALOGPS
pKa (Strongest Acidic)	4.16	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	146.04 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	139.45 m³·mol⁻¹	ChemAxon
Polarizability	57.39 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	222.433	31661259
DarkChem	[M-H]-	213.07	31661259
DeepCCS	[M-2H]-	257.819	30932474
DeepCCS	[M+Na]+	232.845	30932474
AllCCS	[M+H]+	221.9	32859911
AllCCS	[M+H-H2O]+	220.5	32859911
AllCCS	[M+NH4]+	223.2	32859911
AllCCS	[M+Na]+	223.5	32859911
AllCCS	[M-H]-	225.0	32859911
AllCCS	[M+Na-2H]-	227.8	32859911
AllCCS	[M+HCOO]-	231.0	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid	CC(CC(=O)CC(C)C(O)=O)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O	4466.6	Standard polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid	CC(CC(=O)CC(C)C(O)=O)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O	3414.5	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid	CC(CC(=O)CC(C)C(O)=O)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O	3990.3	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,1TMS,isomer #1	CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(=O)O[Si](C)(C)C	4221.1	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,1TMS,isomer #2	CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(=O)O	4157.0	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,1TMS,isomer #3	CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O	4131.7	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,1TMS,isomer #4	CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(=O)O	3997.2	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,1TMS,isomer #5	CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O	4203.4	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,1TMS,isomer #6	CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O	4222.3	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,1TMS,isomer #7	CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(=O)O	4050.6	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,1TMS,isomer #8	CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)C(=O)O	4071.6	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,2TMS,isomer #1	CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(=O)O[Si](C)(C)C	4107.2	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,2TMS,isomer #10	CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O	4085.8	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,2TMS,isomer #11	CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O	4058.1	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,2TMS,isomer #12	CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(=O)O	3932.3	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,2TMS,isomer #13	CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)C(=O)O	3908.3	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,2TMS,isomer #14	CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O	3879.8	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,2TMS,isomer #15	CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	4056.1	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,2TMS,isomer #16	CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	4032.8	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,2TMS,isomer #17	CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O	3894.6	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,2TMS,isomer #18	CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O	3881.0	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,2TMS,isomer #19	CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O	3952.7	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,2TMS,isomer #2	CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4073.4	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,2TMS,isomer #20	CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O	3925.1	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,2TMS,isomer #21	CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(=O)O	3785.6	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,2TMS,isomer #22	CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)C(=O)O	3787.2	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,2TMS,isomer #23	CC(C=C(CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O	3924.4	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,2TMS,isomer #24	CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O	3944.9	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,2TMS,isomer #25	CC(CC(=CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O	3953.3	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,2TMS,isomer #26	CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O	3965.7	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,2TMS,isomer #27	CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)C(=O)O	3808.5	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,2TMS,isomer #3	CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(=O)O[Si](C)(C)C	3973.7	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,2TMS,isomer #4	CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4122.2	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,2TMS,isomer #5	CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4102.5	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,2TMS,isomer #6	CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(=O)O[Si](C)(C)C	3972.8	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,2TMS,isomer #7	CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)C(=O)O[Si](C)(C)C	3998.9	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,2TMS,isomer #8	CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O	4021.8	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,2TMS,isomer #9	CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(=O)O	3858.1	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TMS,isomer #1	CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3957.4	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TMS,isomer #10	CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3806.9	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TMS,isomer #11	CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3792.9	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TMS,isomer #12	CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3854.1	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TMS,isomer #13	CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3839.6	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TMS,isomer #14	CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(=O)O[Si](C)(C)C	3729.8	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TMS,isomer #15	CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)C(=O)O[Si](C)(C)C	3734.3	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TMS,isomer #16	CC(CC(=CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3832.8	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TMS,isomer #17	CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3850.7	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TMS,isomer #18	CC(C=C(CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3812.8	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TMS,isomer #19	CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3833.1	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TMS,isomer #2	CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(=O)O[Si](C)(C)C	3819.9	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TMS,isomer #20	CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)C(=O)O[Si](C)(C)C	3725.9	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TMS,isomer #21	CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O	3739.0	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TMS,isomer #22	CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3905.5	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TMS,isomer #23	CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3883.8	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TMS,isomer #24	CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O	3804.8	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TMS,isomer #25	CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O	3733.2	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TMS,isomer #26	CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O	3779.0	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TMS,isomer #27	CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O	3766.0	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TMS,isomer #28	CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(=O)O	3675.9	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TMS,isomer #29	CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)C(=O)O	3655.6	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TMS,isomer #3	CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3966.4	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TMS,isomer #30	CC(CC(=CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O	3821.0	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TMS,isomer #31	CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O	3796.6	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TMS,isomer #32	CC(C=C(CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O	3801.3	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TMS,isomer #33	CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O	3790.6	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TMS,isomer #34	CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)C(=O)O	3695.4	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TMS,isomer #35	CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3780.0	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TMS,isomer #36	CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3774.2	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TMS,isomer #37	CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O	3680.8	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TMS,isomer #38	CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O	3671.0	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TMS,isomer #39	CC(CC(=CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3788.3	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TMS,isomer #4	CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3946.3	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TMS,isomer #40	CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3779.4	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TMS,isomer #41	CC(C=C(CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3775.7	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TMS,isomer #42	CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3774.0	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TMS,isomer #43	CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O	3676.1	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TMS,isomer #44	CC(CC(=CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O	3718.9	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TMS,isomer #45	CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O	3719.9	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TMS,isomer #46	CC(C=C(CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O	3713.4	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TMS,isomer #47	CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O	3715.1	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TMS,isomer #48	CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)C(=O)O	3610.6	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TMS,isomer #49	CC(C=C(CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O	3707.5	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TMS,isomer #5	CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(=O)O[Si](C)(C)C	3859.2	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TMS,isomer #50	CC(CC(=CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O	3722.3	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TMS,isomer #6	CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)C(=O)O[Si](C)(C)C	3827.4	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TMS,isomer #7	CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3833.7	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TMS,isomer #8	CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3930.6	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TMS,isomer #9	CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3912.9	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #1	CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3693.1	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #1	CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3972.9	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #10	CC(CC(=CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3738.4	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #10	CC(CC(=CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3790.3	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #11	CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3695.9	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #11	CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3758.8	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #12	CC(C=C(CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3713.4	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #12	CC(C=C(CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3772.3	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #13	CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3678.8	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #13	CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3763.6	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #14	CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)C(=O)O[Si](C)(C)C	3628.1	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #14	CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)C(=O)O[Si](C)(C)C	3562.6	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #15	CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3704.1	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #15	CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3969.2	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #16	CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3695.9	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #16	CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3968.4	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #17	CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3632.8	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #17	CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3703.7	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #18	CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3629.7	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #18	CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3679.3	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #19	CC(CC(=CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3704.8	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #19	CC(CC(=CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3770.6	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #2	CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3803.0	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #2	CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3993.2	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #20	CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3689.6	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #20	CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3748.3	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #21	CC(C=C(CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3679.0	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #21	CC(C=C(CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3755.0	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #22	CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3673.9	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #22	CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3755.5	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #23	CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3608.9	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #23	CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3554.6	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #24	CC(CC(=CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3645.8	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #24	CC(CC(=CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3755.8	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #25	CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3640.8	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #25	CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3710.0	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #26	CC(C=C(CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3637.1	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #26	CC(C=C(CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3736.0	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #27	CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3633.3	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #27	CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3710.7	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #28	CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)C(=O)O[Si](C)(C)C	3569.3	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #28	CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)C(=O)O[Si](C)(C)C	3528.8	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #29	CC(CC(=CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3638.4	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #29	CC(CC(=CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3588.0	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #3	CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3791.1	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #3	CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3992.8	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #30	CC(C=C(CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3620.7	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #30	CC(C=C(CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3563.7	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #31	CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3674.7	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #31	CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3967.8	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #32	CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3663.9	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #32	CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3990.5	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #33	CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O	3611.8	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #33	CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O	3698.9	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #34	CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O	3586.1	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #34	CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O	3677.9	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #35	CC(CC(=CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3733.1	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #35	CC(CC(=CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3734.9	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #36	CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3669.9	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #36	CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3705.6	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #37	CC(C=C(CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3710.8	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #37	CC(C=C(CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3747.9	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #38	CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3658.7	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #38	CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3736.9	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #39	CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O	3599.3	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #39	CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O	3530.9	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #4	CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3740.6	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #4	CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3731.4	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #40	CC(CC(=CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O	3638.3	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #40	CC(CC(=CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O	3751.3	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #41	CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O	3611.3	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #41	CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O	3702.5	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #42	CC(C=C(CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O	3635.0	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #42	CC(C=C(CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O	3762.8	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #43	CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O	3605.7	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #43	CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O	3733.3	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #44	CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)C(=O)O	3544.2	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #44	CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)C(=O)O	3535.7	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #45	CC(CC(=CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O	3629.4	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #45	CC(CC(=CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O	3553.2	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #46	CC(C=C(CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O	3613.8	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #46	CC(C=C(CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O	3546.5	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #47	CC(CC(=CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3641.2	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #47	CC(CC(=CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3707.8	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #48	CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3617.8	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #48	CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3662.5	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #49	CC(C=C(CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3641.8	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #49	CC(C=C(CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3718.8	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #5	CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3672.0	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #5	CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3720.4	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #50	CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3616.8	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #50	CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3692.5	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #51	CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O	3549.8	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #51	CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O	3508.5	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #52	CC(CC(=CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3626.5	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #52	CC(CC(=CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3544.9	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #53	CC(C=C(CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3611.3	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #53	CC(C=C(CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3539.8	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #54	CC(CC(=CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O	3580.7	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #54	CC(CC(=CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O	3517.0	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #55	CC(C=C(CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O	3587.4	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #55	CC(C=C(CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O	3509.1	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #6	CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3709.8	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #6	CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4038.3	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #7	CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3688.4	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #7	CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4038.3	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #8	CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(=O)O[Si](C)(C)C	3640.8	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #8	CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(=O)O[Si](C)(C)C	3753.4	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #9	CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)C(=O)O[Si](C)(C)C	3617.0	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,4TMS,isomer #9	CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)C(=O)O[Si](C)(C)C	3729.1	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #1	CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3614.3	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #1	CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4003.9	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #10	CC(CC(=CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3577.5	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #10	CC(CC(=CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3811.0	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #11	CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3539.7	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #11	CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3752.0	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #12	CC(C=C(CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3567.2	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #12	CC(C=C(CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3785.3	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #13	CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3526.7	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #13	CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3749.9	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #14	CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)C(=O)O[Si](C)(C)C	3507.8	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #14	CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)C(=O)O[Si](C)(C)C	3578.1	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #15	CC(CC(=CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3558.0	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #15	CC(CC(=CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3598.8	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #16	CC(C=C(CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3545.2	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #16	CC(C=C(CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3575.1	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #17	CC(CC(=CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3579.6	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #17	CC(CC(=CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3756.2	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #18	CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3558.4	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #18	CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3701.9	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #19	CC(C=C(CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3575.4	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #19	CC(C=C(CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3732.6	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #2	CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3600.4	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #2	CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4001.9	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #20	CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3556.0	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #20	CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3699.8	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #21	CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3513.8	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #21	CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3537.0	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #22	CC(CC(=CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3546.1	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #22	CC(CC(=CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3593.5	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #23	CC(C=C(CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3535.1	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #23	CC(C=C(CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3570.6	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #24	CC(CC(=CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3516.2	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #24	CC(CC(=CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3569.5	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #25	CC(C=C(CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3514.3	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #25	CC(C=C(CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3547.1	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #26	CC(CC(=CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3573.3	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #26	CC(CC(=CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3725.6	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #27	CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3533.7	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #27	CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3671.1	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #28	CC(C=C(CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3573.8	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #28	CC(C=C(CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3724.0	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #29	CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3535.8	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #29	CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3690.7	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #3	CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3582.0	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #3	CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3738.9	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #30	CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O	3503.2	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #30	CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O	3522.2	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #31	CC(CC(=CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3554.0	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #31	CC(CC(=CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3541.4	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #32	CC(C=C(CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3551.0	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #32	CC(C=C(CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3530.9	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #33	CC(CC(=CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O	3503.8	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #33	CC(CC(=CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O	3548.3	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #34	CC(C=C(CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O	3508.9	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #34	CC(C=C(CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C)C(=O)O	3542.2	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #35	CC(CC(=CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3517.2	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #35	CC(CC(=CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3515.0	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #36	CC(C=C(CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3528.0	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #36	CC(C=C(CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	3508.4	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #4	CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3548.1	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #4	CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3705.0	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #5	CC(CC(=CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3663.8	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #5	CC(CC(=CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3777.5	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #6	CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3608.1	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #6	CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3735.4	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #7	CC(C=C(CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3648.9	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #7	CC(C=C(CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3758.1	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #8	CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3595.8	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #8	CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3736.1	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #9	CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3558.3	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,5TMS,isomer #9	CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3556.8	Standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,1TBDMS,isomer #1	CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(=O)O[Si](C)(C)C(C)(C)C	4475.7	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,1TBDMS,isomer #2	CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(=O)O	4399.9	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,1TBDMS,isomer #3	CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C)C(=O)O	4376.7	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,1TBDMS,isomer #4	CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(=O)O	4280.7	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,1TBDMS,isomer #5	CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C(C)(C)C)C(=O)O	4456.0	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,1TBDMS,isomer #6	CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C(C)(C)C)C(=O)O	4473.1	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,1TBDMS,isomer #7	CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(=O)O	4292.3	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,1TBDMS,isomer #8	CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O)C(=O)O	4310.5	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,2TBDMS,isomer #1	CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(=O)O[Si](C)(C)C(C)(C)C	4589.6	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,2TBDMS,isomer #10	CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C(C)(C)C)C(=O)O	4551.7	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,2TBDMS,isomer #11	CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C(C)(C)C)C(=O)O	4533.6	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,2TBDMS,isomer #12	CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(=O)O	4391.8	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,2TBDMS,isomer #13	CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O)C(=O)O	4383.8	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,2TBDMS,isomer #14	CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C)C(=O)O	4379.3	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,2TBDMS,isomer #15	CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	4529.2	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,2TBDMS,isomer #16	CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	4509.1	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,2TBDMS,isomer #17	CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C)C(=O)O	4374.3	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,2TBDMS,isomer #18	CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C)C(=O)O	4365.0	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,2TBDMS,isomer #19	CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C(C)(C)C)C(=O)O	4432.5	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,2TBDMS,isomer #2	CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4561.3	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,2TBDMS,isomer #20	CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C(C)(C)C)C(=O)O	4416.5	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,2TBDMS,isomer #21	CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(=O)O	4274.2	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,2TBDMS,isomer #22	CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O)C(=O)O	4270.3	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,2TBDMS,isomer #23	CC(C=C(CC(C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C(C)(C)C)C(=O)O	4409.7	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,2TBDMS,isomer #24	CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C(C)(C)C)C(=O)O	4428.8	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,2TBDMS,isomer #25	CC(CC(=CC(C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C(C)(C)C)C(=O)O	4425.8	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,2TBDMS,isomer #26	CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C(C)(C)C)C(=O)O	4442.2	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,2TBDMS,isomer #27	CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O)C(=O)O	4286.1	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,2TBDMS,isomer #3	CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(=O)O[Si](C)(C)C(C)(C)C	4453.2	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,2TBDMS,isomer #4	CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4591.6	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,2TBDMS,isomer #5	CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4581.1	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,2TBDMS,isomer #6	CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(=O)O[Si](C)(C)C(C)(C)C	4438.0	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,2TBDMS,isomer #7	CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O)C(=O)O[Si](C)(C)C(C)(C)C	4472.0	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,2TBDMS,isomer #8	CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C)C(=O)O	4499.8	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,2TBDMS,isomer #9	CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(=O)O	4343.9	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TBDMS,isomer #1	CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4652.1	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TBDMS,isomer #10	CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4522.2	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TBDMS,isomer #11	CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4517.2	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TBDMS,isomer #12	CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4541.6	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TBDMS,isomer #13	CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4537.8	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TBDMS,isomer #14	CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(=O)O[Si](C)(C)C(C)(C)C	4407.8	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TBDMS,isomer #15	CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O)C(=O)O[Si](C)(C)C(C)(C)C	4415.5	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TBDMS,isomer #16	CC(CC(=CC(C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4528.0	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TBDMS,isomer #17	CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4543.1	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TBDMS,isomer #18	CC(C=C(CC(C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4524.1	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TBDMS,isomer #19	CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4534.2	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TBDMS,isomer #2	CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(=O)O[Si](C)(C)C(C)(C)C	4502.2	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TBDMS,isomer #20	CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O)C(=O)O[Si](C)(C)C(C)(C)C	4412.9	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TBDMS,isomer #21	CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C)C(=O)O	4438.7	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TBDMS,isomer #22	CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	4610.8	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TBDMS,isomer #23	CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	4591.9	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TBDMS,isomer #24	CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C)C(=O)O	4503.2	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TBDMS,isomer #25	CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C)C(=O)O	4447.3	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TBDMS,isomer #26	CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C(C)(C)C)C(=O)O	4458.9	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TBDMS,isomer #27	CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C(C)(C)C)C(=O)O	4450.5	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TBDMS,isomer #28	CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(=O)O	4347.4	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TBDMS,isomer #29	CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O)C(=O)O	4319.0	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TBDMS,isomer #3	CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4654.4	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TBDMS,isomer #30	CC(CC(=CC(C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C(C)(C)C)C(=O)O	4497.0	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TBDMS,isomer #31	CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C(C)(C)C)C(=O)O	4478.7	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TBDMS,isomer #32	CC(C=C(CC(C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C(C)(C)C)C(=O)O	4484.7	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TBDMS,isomer #33	CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C(C)(C)C)C(=O)O	4474.3	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TBDMS,isomer #34	CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O)C(=O)O	4360.3	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TBDMS,isomer #35	CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	4483.9	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TBDMS,isomer #36	CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	4483.8	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TBDMS,isomer #37	CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C)C(=O)O	4378.5	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TBDMS,isomer #38	CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C)C(=O)O	4362.9	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TBDMS,isomer #39	CC(CC(=CC(C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	4489.2	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TBDMS,isomer #4	CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4642.0	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TBDMS,isomer #40	CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	4482.9	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TBDMS,isomer #41	CC(C=C(CC(C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	4481.3	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TBDMS,isomer #42	CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	4477.6	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TBDMS,isomer #43	CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C)C(=O)O	4370.7	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TBDMS,isomer #44	CC(CC(=CC(C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C(C)(C)C)C(=O)O	4380.6	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TBDMS,isomer #45	CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C(C)(C)C)C(=O)O	4365.9	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TBDMS,isomer #46	CC(C=C(CC(C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)O[Si](C)(C)C(C)(C)C)C(=O)O	4375.4	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TBDMS,isomer #47	CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C(C)(C)C)C(=O)O	4368.2	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TBDMS,isomer #48	CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O)C(=O)O	4247.7	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TBDMS,isomer #49	CC(C=C(CC(C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C(C)(C)C)C(=O)O	4361.2	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TBDMS,isomer #5	CC(CC(=O)CC(C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(=O)O[Si](C)(C)C(C)(C)C	4540.4	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TBDMS,isomer #50	CC(CC(=CC(C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O)O[Si](C)(C)C(C)(C)C)C(=O)O	4369.1	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TBDMS,isomer #6	CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O)C(=O)O[Si](C)(C)C(C)(C)C	4521.8	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TBDMS,isomer #7	CC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4536.3	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TBDMS,isomer #8	CC(CC(=CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4635.7	Semi standard non polar	33892256
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid,3TBDMS,isomer #9	CC(C=C(CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4623.0	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - 7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid GC-MS (Non-derivatized) - 70eV, Positive	splash10-0gbi-4453690000-d05e6af7088afceec077	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid GC-MS (2 TMS) - 70eV, Positive	splash10-0aor-3211139000-6a9804db72db96b97075	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid GC-MS (TMS_2_16) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid 10V, Positive-QTOF	splash10-03di-1000790000-c7e55e054e4610444f2c	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid 20V, Positive-QTOF	splash10-029b-2000920000-c699926ad810bf452852	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid 40V, Positive-QTOF	splash10-014l-5003910000-40c43c7ea92ae4ef591d	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid 10V, Negative-QTOF	splash10-004i-0000290000-9d086a775dc5b2536a92	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid 20V, Negative-QTOF	splash10-0209-9200870000-bfc7f4d8be52ed7b4911	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid 40V, Negative-QTOF	splash10-0avl-9011710000-61169ce9f916ef2ec5d4	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid 10V, Negative-QTOF	splash10-004r-0000390000-33ecbd751a82ab251d6c	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid 20V, Negative-QTOF	splash10-0f9i-2001920000-2b428369be6c2892b1cf	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid 40V, Negative-QTOF	splash10-100d-2003900000-6ef7e233eb21a8f8cd3a	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid 10V, Positive-QTOF	splash10-06sj-0009840000-2583056c4429026786eb	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid 20V, Positive-QTOF	splash10-001i-2308910000-8fdcb31862ed3dd261db	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid 40V, Positive-QTOF	splash10-029f-9303100000-de96e625e4c3b04a8c2f	2021-09-24	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Extracellular

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB011013

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

74976916

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
(). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.

Showing metabocard for 7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid (HMDB0033023)

MOL for HMDB0033023 (7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid)

3D MOL for HMDB0033023 (7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid)

3D SDF for HMDB0033023 (7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid)

3D-SDF for HMDB0033023 (7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid)

PDB for HMDB0033023 (7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid)

3D PDB for HMDB0033023 (7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid)

SMILES for HMDB0033023 (7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid)

INCHI for HMDB0033023 (7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid)

Structure for HMDB0033023 (7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid)

3D Structure for HMDB0033023 (7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra