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Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (18) Show 18 proteins XML

Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2008-09-15 16:38:57 UTC

Update Date

2021-09-14 15:19:30 UTC

HMDB ID

HMDB0010320

Secondary Accession Numbers

HMDB10320

Metabolite Identification

Common Name

Cortolone-3-glucuronide

Description

Cortolone-3-glucuronide is a natural human metabolite of cortolone generated in the liver by UDP glucuonyltransferase. Glucuronidation is used to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys.

Structure

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


  Mrv0541 02241200502D          

 38 42  0  0  1  0            999 V2000
   10.6782   -8.1212    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.6782   -8.9462    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.9637   -7.7087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9637   -9.3587    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.2493   -8.1212    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2493   -8.9462    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.3927   -7.7087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5348   -7.7087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9637  -10.1838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3927   -9.3587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5347   -9.3587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5347   -6.8837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8203   -8.1212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1072   -8.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8217   -7.7087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1072   -8.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5361   -8.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8217   -9.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2506   -7.7087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5361   -8.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5361   -7.2962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9651   -8.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2506   -9.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6795   -7.7087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9651   -8.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2506   -6.8837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9651   -6.4712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6795   -6.8837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1085   -6.8837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1085   -7.7087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3940   -6.4712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3940   -5.6462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1085   -5.2336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1085   -4.4086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6795   -5.2337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2925   -5.9899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5361   -6.4712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6701   -6.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  1  0  0  0  0
  1  7  1  1  0  0  0
  5  8  1  1  0  0  0
  4  9  1  1  0  0  0
  2 10  1  6  0  0  0
  6 11  1  6  0  0  0
 12  8  2  0  0  0  0
 13  8  1  0  0  0  0
 14  7  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 18 16  1  0  0  0  0
 19 17  1  0  0  0  0
 20 17  1  0  0  0  0
 18 20  1  0  0  0  0
 21 17  1  0  0  0  0
 22 19  1  0  0  0  0
 23 20  1  0  0  0  0
 24 22  1  0  0  0  0
 25 22  1  0  0  0  0
 23 25  1  0  0  0  0
 26 19  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 31 28  1  0  0  0  0
 28 24  1  0  0  0  0
 24 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 32  1  0  0  0  0
 36 31  1  0  0  0  0
 37 26  2  0  0  0  0
 38 28  1  0  0  0  0
M  END

HMDB0010320
     RDKit          3D
Cortolone-3-glucuronide
 80 84  0  0  0  0  0  0  0  0999 V2000
    0.2277   -1.8859   -2.0371 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2294   -1.0922   -0.7520 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4704   -0.2335   -0.7644 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5828   -0.8028    0.0694 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917   -0.3024   -0.4149 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4925    0.4174    0.5347 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6033    1.7647    0.1550 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5236    2.3507    1.0212 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3365    3.8328    1.0693 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4414    4.3903    0.3849 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1389    4.6352    1.8650 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9042    2.0221    0.4763 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.9058    2.3735    1.3610 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9608    0.5642    0.1393 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9644    0.3798   -1.2416 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8227   -0.2300    0.7509 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0303   -0.3539    2.1367 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6748   -2.3014    0.0269 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3664   -2.9868    0.3148 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2364   -1.9571    0.4701 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6487    0.3911    1.1984 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.4359   -0.4286   -1.0468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6372   -1.3299   -1.1049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4896   -1.0235    0.0739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0003    0.3202    0.6241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9587    0.1041    2.0311 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0902    1.3026    0.4322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9137    2.5119    1.0911 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5333    1.5009   -1.0048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7650    2.1980   -1.0426 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2785   -2.1184   -2.3066 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3130   -2.8258   -1.9854 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2641    0.7961   -0.3632 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7717   -0.5629   -1.4783 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4991   -1.0943    2.5164 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3755   -2.6006    0.8486 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3767   -3.5536    1.2707 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0847   -3.7183   -0.4711 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6141   -1.3009    1.3114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3426   -2.2555    1.8638 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3066   -3.3587   -0.6953 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.9088   -0.4378    1.8705 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3857    1.9139   -1.6393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3090    2.2417   -0.2954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9887    2.7509   -0.1835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4135    0.0989   -2.0505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2213   -1.2252   -2.0674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3537   -2.4135   -1.1042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5540   -0.9930   -0.2344 H   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0
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  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
  8 12  1  0
 12 13  1  0
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 14 16  1  0
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  4 18  1  0
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 20  2  1  0
 30 23  1  0
 24  2  1  0
 33 28  1  0
 16  6  1  0
  1 39  1  0
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  3 42  1  0
  3 43  1  0
  4 44  1  0
  6 45  1  1
  8 46  1  1
 11 47  1  0
 12 48  1  6
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 32 73  1  0
 32 74  1  0
 34 75  1  0
 35 76  1  0
 36 77  1  0
 37 78  1  0
 37 79  1  0
 38 80  1  0
M  END


  Mrv0541 02241200502D          

 38 42  0  0  1  0            999 V2000
   10.6782   -8.1212    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.6782   -8.9462    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.9637   -7.7087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9637   -9.3587    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.2493   -8.1212    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2493   -8.9462    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.3927   -7.7087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5348   -7.7087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9637  -10.1838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3927   -9.3587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5347   -9.3587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5347   -6.8837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8203   -8.1212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1072   -8.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8217   -7.7087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1072   -8.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5361   -8.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8217   -9.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2506   -7.7087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5361   -8.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5361   -7.2962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9651   -8.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2506   -9.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6795   -7.7087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9651   -8.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2506   -6.8837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9651   -6.4712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6795   -6.8837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1085   -6.8837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1085   -7.7087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.3940   -5.6462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1085   -5.2336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1085   -4.4086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6795   -5.2337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2925   -5.9899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5361   -6.4712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6701   -6.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  1  0  0  0  0
  1  7  1  1  0  0  0
  5  8  1  1  0  0  0
  4  9  1  1  0  0  0
  2 10  1  6  0  0  0
  6 11  1  6  0  0  0
 12  8  2  0  0  0  0
 13  8  1  0  0  0  0
 14  7  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 18 16  1  0  0  0  0
 19 17  1  0  0  0  0
 20 17  1  0  0  0  0
 18 20  1  0  0  0  0
 21 17  1  0  0  0  0
 22 19  1  0  0  0  0
 23 20  1  0  0  0  0
 24 22  1  0  0  0  0
 25 22  1  0  0  0  0
 23 25  1  0  0  0  0
 26 19  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 31 28  1  0  0  0  0
 28 24  1  0  0  0  0
 24 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 32  1  0  0  0  0
 36 31  1  0  0  0  0
 37 26  2  0  0  0  0
 38 28  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0010320

> <DATABASE_NAME>
hmdb

> <SMILES>
CC12CC(=O)C3C(CCC4CCC(CC34C)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C1CCC2(O)C(O)CO

> <INCHI_IDENTIFIER>
InChI=1S/C27H42O11/c1-25-9-13(37-24-21(33)19(31)20(32)22(38-24)23(34)35)5-3-12(25)4-6-14-15-7-8-27(36,17(30)11-28)26(15,2)10-16(29)18(14)25/h12-15,17-22,24,28,30-33,36H,3-11H2,1-2H3,(H,34,35)/t12?,13?,14?,15?,17?,18?,19-,20-,21+,22-,24+,25?,26?,27?/m0/s1

> <INCHI_KEY>
OKNSFVSKHQJVRN-XAYCFROHSA-N

> <FORMULA>
C27H42O11

> <MOLECULAR_WEIGHT>
542.6158

> <EXACT_MASS>
542.272712186

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
56.6029565422804

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3S,4S,5R,6R)-6-{[14-(1,2-dihydroxyethyl)-14-hydroxy-2,15-dimethyl-17-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-4-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

> <ALOGPS_LOGP>
-0.01

> <JCHEM_LOGP>
-0.566723060333334

> <ALOGPS_LOGS>
-2.45

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
12.158422809532459

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.5636990019876422

> <JCHEM_PKA_STRONGEST_BASIC>
-2.976535816909254

> <JCHEM_POLAR_SURFACE_AREA>
194.20999999999998

> <JCHEM_REFRACTIVITY>
129.72359999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.90e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3S,4S,5R,6R)-6-{[14-(1,2-dihydroxyethyl)-14-hydroxy-2,15-dimethyl-17-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-4-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0010320
     RDKit          3D
Cortolone-3-glucuronide
 80 84  0  0  0  0  0  0  0  0999 V2000
    0.2277   -1.8859   -2.0371 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2294   -1.0922   -0.7520 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4704   -0.2335   -0.7644 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5828   -0.8028    0.0694 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917   -0.3024   -0.4149 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4925    0.4174    0.5347 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6033    1.7647    0.1550 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5236    2.3507    1.0212 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3365    3.8328    1.0693 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4414    4.3903    0.3849 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1389    4.6352    1.8650 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9042    2.0221    0.4763 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.9058    2.3735    1.3610 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9608    0.5642    0.1393 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9644    0.3798   -1.2416 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8227   -0.2300    0.7509 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0303   -0.3539    2.1367 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6748   -2.3014    0.0269 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3664   -2.9868    0.3148 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2364   -1.9571    0.4701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0382   -2.5931    0.8270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1853   -2.4091   -0.0881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1750   -1.2076   -0.9543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0278   -0.2520   -0.6667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2682    0.3406    0.6540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3756    0.8040    1.3431 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6487    0.3911    1.1984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6725    0.5737    0.0634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3774    1.9263   -0.5075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4359   -0.4286   -1.0468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6372   -1.3299   -1.1049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4896   -1.0235    0.0739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0003    0.3202    0.6241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9587    0.1041    2.0311 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0902    1.3026    0.4322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9137    2.5119    1.0911 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5333    1.5009   -1.0048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7650    2.1980   -1.0426 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2785   -2.1184   -2.3066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1335   -1.2060   -2.8633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3130   -2.8258   -1.9854 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2641    0.7961   -0.3632 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8119   -0.0725   -1.8083 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5108   -0.4724    1.1334 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8964    0.4139    1.4681 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4405    1.9749    2.0438 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8782    5.2232    1.4886 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0062    2.6359   -0.4586 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6988    1.8120    1.1311 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9001    0.1004    0.5391 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7717   -0.5629   -1.4783 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8867   -1.2553    0.3333 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4991   -1.0943    2.5164 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3755   -2.6006    0.8486 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1471   -2.6678   -0.9075 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3767   -3.5536    1.2707 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0847   -3.7183   -0.4711 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6141   -1.3009    1.3114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3426   -2.2555    1.8638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8488   -3.6983    0.9755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1318   -2.3898    0.5137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3066   -3.3587   -0.6953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9445   -1.5771   -2.0022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0610    0.5032   -1.4930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9088   -0.4378    1.8705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7535    1.3233    1.8172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3857    1.9139   -1.6393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3090    2.2417   -0.2954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9887    2.7509   -0.1835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4135    0.0989   -2.0505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2213   -1.2252   -2.0674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3537   -2.4135   -1.1042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5540   -0.9930   -0.2344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4325   -1.8398    0.8199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8268   -0.2941    2.2706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9972    0.8482    0.9429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1764    2.4777    2.0378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7704    2.0221   -1.6073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7400    0.5463   -1.5249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6395    2.9348   -0.3672 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  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
  8 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
  4 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 35 37  1  0
 37 38  1  0
 20  2  1  0
 30 23  1  0
 24  2  1  0
 33 28  1  0
 16  6  1  0
  1 39  1  0
  1 40  1  0
  1 41  1  0
  3 42  1  0
  3 43  1  0
  4 44  1  0
  6 45  1  1
  8 46  1  1
 11 47  1  0
 12 48  1  6
 13 49  1  0
 14 50  1  1
 15 51  1  0
 16 52  1  6
 17 53  1  0
 18 54  1  0
 18 55  1  0
 19 56  1  0
 19 57  1  0
 20 58  1  0
 21 59  1  0
 21 60  1  0
 22 61  1  0
 22 62  1  0
 23 63  1  0
 24 64  1  0
 27 65  1  0
 27 66  1  0
 29 67  1  0
 29 68  1  0
 29 69  1  0
 30 70  1  0
 31 71  1  0
 31 72  1  0
 32 73  1  0
 32 74  1  0
 34 75  1  0
 35 76  1  0
 36 77  1  0
 37 78  1  0
 37 79  1  0
 38 80  1  0
M  END

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0      19.933 -15.160   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      19.933 -16.700   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      18.599 -14.390   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      18.599 -17.470   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      17.265 -15.160   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      17.265 -16.700   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      21.266 -14.390   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      15.932 -14.390   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      18.599 -19.010   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      21.266 -17.470   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0      15.931 -17.470   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0      15.931 -12.850   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0      14.598 -15.160   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      22.600 -15.160   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      23.934 -14.390   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      22.600 -16.700   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      25.267 -15.160   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      23.934 -17.470   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      26.601 -14.390   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      25.267 -16.700   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      25.267 -13.620   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      27.935 -15.160   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      26.601 -17.470   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      29.268 -14.390   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      27.935 -16.700   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      26.601 -12.850   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      27.935 -12.080   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      29.268 -12.850   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      31.936 -12.850   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      31.936 -14.390   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      30.602 -12.080   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      30.602 -10.540   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      31.936  -9.769   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      31.936  -8.229   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0      29.268  -9.770   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0      32.279 -11.181   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0      25.267 -12.080   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0      29.251 -11.361   0.000  0.00  0.00           C+0
CONECT    1    2    3    7                                                  
CONECT    2    1    4   10                                                  
CONECT    3    1    5                                                       
CONECT    4    2    6    9                                                  
CONECT    5    3    6    8                                                  
CONECT    6    4    5   11                                                  
CONECT    7    1   14                                                       
CONECT    8    5   12   13                                                  
CONECT    9    4                                                            
CONECT   10    2                                                            
CONECT   11    6                                                            
CONECT   12    8                                                            
CONECT   13    8                                                            
CONECT   14    7   15   16                                                  
CONECT   15   14   17                                                       
CONECT   16   14   18                                                       
CONECT   17   15   19   20   21                                             
CONECT   18   16   20                                                       
CONECT   19   17   22   26                                                  
CONECT   20   17   18   23                                                  
CONECT   21   17                                                            
CONECT   22   19   24   25                                                  
CONECT   23   20   25                                                       
CONECT   24   22   28   30                                                  
CONECT   25   22   23                                                       
CONECT   26   19   27   37                                                  
CONECT   27   26   28                                                       
CONECT   28   27   31   24   38                                             
CONECT   29   30   31                                                       
CONECT   30   29   24                                                       
CONECT   31   29   28   32   36                                             
CONECT   32   31   33   35                                                  
CONECT   33   32   34                                                       
CONECT   34   33                                                            
CONECT   35   32                                                            
CONECT   36   31                                                            
CONECT   37   26                                                            
CONECT   38   28                                                            
MASTER        0    0    0    0    0    0    0    0   38    0   84    0
END

COMPND    HMDB0010320
HETATM    1  C1  UNL     1       0.228  -1.886  -2.037  1.00  0.00           C  
HETATM    2  C2  UNL     1       0.229  -1.092  -0.752  1.00  0.00           C  
HETATM    3  C3  UNL     1       1.470  -0.234  -0.764  1.00  0.00           C  
HETATM    4  C4  UNL     1       2.583  -0.803   0.069  1.00  0.00           C  
HETATM    5  O1  UNL     1       3.792  -0.302  -0.415  1.00  0.00           O  
HETATM    6  C5  UNL     1       4.493   0.417   0.535  1.00  0.00           C  
HETATM    7  O2  UNL     1       4.603   1.765   0.155  1.00  0.00           O  
HETATM    8  C6  UNL     1       5.524   2.351   1.021  1.00  0.00           C  
HETATM    9  C7  UNL     1       5.336   3.833   1.069  1.00  0.00           C  
HETATM   10  O3  UNL     1       4.441   4.390   0.385  1.00  0.00           O  
HETATM   11  O4  UNL     1       6.139   4.635   1.865  1.00  0.00           O  
HETATM   12  C8  UNL     1       6.904   2.022   0.476  1.00  0.00           C  
HETATM   13  O5  UNL     1       7.906   2.374   1.361  1.00  0.00           O  
HETATM   14  C9  UNL     1       6.961   0.564   0.139  1.00  0.00           C  
HETATM   15  O6  UNL     1       6.964   0.380  -1.242  1.00  0.00           O  
HETATM   16  C10 UNL     1       5.823  -0.230   0.751  1.00  0.00           C  
HETATM   17  O7  UNL     1       6.030  -0.354   2.137  1.00  0.00           O  
HETATM   18  C11 UNL     1       2.675  -2.301   0.027  1.00  0.00           C  
HETATM   19  C12 UNL     1       1.366  -2.987   0.315  1.00  0.00           C  
HETATM   20  C13 UNL     1       0.236  -1.957   0.470  1.00  0.00           C  
HETATM   21  C14 UNL     1      -1.038  -2.593   0.827  1.00  0.00           C  
HETATM   22  C15 UNL     1      -2.185  -2.409  -0.088  1.00  0.00           C  
HETATM   23  C16 UNL     1      -2.175  -1.208  -0.954  1.00  0.00           C  
HETATM   24  C17 UNL     1      -1.028  -0.252  -0.667  1.00  0.00           C  
HETATM   25  C18 UNL     1      -1.268   0.341   0.654  1.00  0.00           C  
HETATM   26  O8  UNL     1      -0.376   0.804   1.343  1.00  0.00           O  
HETATM   27  C19 UNL     1      -2.649   0.391   1.198  1.00  0.00           C  
HETATM   28  C20 UNL     1      -3.673   0.574   0.063  1.00  0.00           C  
HETATM   29  C21 UNL     1      -3.377   1.926  -0.508  1.00  0.00           C  
HETATM   30  C22 UNL     1      -3.436  -0.429  -1.047  1.00  0.00           C  
HETATM   31  C23 UNL     1      -4.637  -1.330  -1.105  1.00  0.00           C  
HETATM   32  C24 UNL     1      -5.490  -1.024   0.074  1.00  0.00           C  
HETATM   33  C25 UNL     1      -5.000   0.320   0.624  1.00  0.00           C  
HETATM   34  O9  UNL     1      -4.959   0.104   2.031  1.00  0.00           O  
HETATM   35  C26 UNL     1      -6.090   1.303   0.432  1.00  0.00           C  
HETATM   36  O10 UNL     1      -5.914   2.512   1.091  1.00  0.00           O  
HETATM   37  C27 UNL     1      -6.533   1.501  -1.005  1.00  0.00           C  
HETATM   38  O11 UNL     1      -7.765   2.198  -1.043  1.00  0.00           O  
HETATM   39  H1  UNL     1       1.278  -2.118  -2.307  1.00  0.00           H  
HETATM   40  H2  UNL     1      -0.133  -1.206  -2.863  1.00  0.00           H  
HETATM   41  H3  UNL     1      -0.313  -2.826  -1.985  1.00  0.00           H  
HETATM   42  H4  UNL     1       1.264   0.796  -0.363  1.00  0.00           H  
HETATM   43  H5  UNL     1       1.812  -0.073  -1.808  1.00  0.00           H  
HETATM   44  H6  UNL     1       2.511  -0.472   1.133  1.00  0.00           H  
HETATM   45  H7  UNL     1       3.896   0.414   1.468  1.00  0.00           H  
HETATM   46  H8  UNL     1       5.441   1.975   2.044  1.00  0.00           H  
HETATM   47  H9  UNL     1       6.878   5.223   1.489  1.00  0.00           H  
HETATM   48  H10 UNL     1       7.006   2.636  -0.459  1.00  0.00           H  
HETATM   49  H11 UNL     1       8.699   1.812   1.131  1.00  0.00           H  
HETATM   50  H12 UNL     1       7.900   0.100   0.539  1.00  0.00           H  
HETATM   51  H13 UNL     1       6.772  -0.563  -1.478  1.00  0.00           H  
HETATM   52  H14 UNL     1       5.887  -1.255   0.333  1.00  0.00           H  
HETATM   53  H15 UNL     1       5.499  -1.094   2.516  1.00  0.00           H  
HETATM   54  H16 UNL     1       3.376  -2.601   0.849  1.00  0.00           H  
HETATM   55  H17 UNL     1       3.147  -2.668  -0.908  1.00  0.00           H  
HETATM   56  H18 UNL     1       1.377  -3.554   1.271  1.00  0.00           H  
HETATM   57  H19 UNL     1       1.085  -3.718  -0.471  1.00  0.00           H  
HETATM   58  H20 UNL     1       0.614  -1.301   1.311  1.00  0.00           H  
HETATM   59  H21 UNL     1      -1.343  -2.256   1.864  1.00  0.00           H  
HETATM   60  H22 UNL     1      -0.849  -3.698   0.976  1.00  0.00           H  
HETATM   61  H23 UNL     1      -3.132  -2.390   0.514  1.00  0.00           H  
HETATM   62  H24 UNL     1      -2.307  -3.359  -0.695  1.00  0.00           H  
HETATM   63  H25 UNL     1      -1.945  -1.577  -2.002  1.00  0.00           H  
HETATM   64  H26 UNL     1      -1.061   0.503  -1.493  1.00  0.00           H  
HETATM   65  H27 UNL     1      -2.909  -0.438   1.871  1.00  0.00           H  
HETATM   66  H28 UNL     1      -2.753   1.323   1.817  1.00  0.00           H  
HETATM   67  H29 UNL     1      -3.386   1.914  -1.639  1.00  0.00           H  
HETATM   68  H30 UNL     1      -2.309   2.242  -0.295  1.00  0.00           H  
HETATM   69  H31 UNL     1      -3.989   2.751  -0.183  1.00  0.00           H  
HETATM   70  H32 UNL     1      -3.414   0.099  -2.050  1.00  0.00           H  
HETATM   71  H33 UNL     1      -5.221  -1.225  -2.067  1.00  0.00           H  
HETATM   72  H34 UNL     1      -4.354  -2.413  -1.104  1.00  0.00           H  
HETATM   73  H35 UNL     1      -6.554  -0.993  -0.234  1.00  0.00           H  
HETATM   74  H36 UNL     1      -5.432  -1.840   0.820  1.00  0.00           H  
HETATM   75  H37 UNL     1      -5.827  -0.294   2.271  1.00  0.00           H  
HETATM   76  H38 UNL     1      -6.997   0.848   0.943  1.00  0.00           H  
HETATM   77  H39 UNL     1      -6.176   2.478   2.038  1.00  0.00           H  
HETATM   78  H40 UNL     1      -5.770   2.022  -1.607  1.00  0.00           H  
HETATM   79  H41 UNL     1      -6.740   0.546  -1.525  1.00  0.00           H  
HETATM   80  H42 UNL     1      -7.639   2.935  -0.367  1.00  0.00           H  
CONECT    1    2   39   40   41
CONECT    2    3   20   24
CONECT    3    4   42   43
CONECT    4    5   18   44
CONECT    5    6
CONECT    6    7   16   45
CONECT    7    8
CONECT    8    9   12   46
CONECT    9   10   10   11
CONECT   11   47
CONECT   12   13   14   48
CONECT   13   49
CONECT   14   15   16   50
CONECT   15   51
CONECT   16   17   52
CONECT   17   53
CONECT   18   19   54   55
CONECT   19   20   56   57
CONECT   20   21   58
CONECT   21   22   59   60
CONECT   22   23   61   62
CONECT   23   24   30   63
CONECT   24   25   64
CONECT   25   26   26   27
CONECT   27   28   65   66
CONECT   28   29   30   33
CONECT   29   67   68   69
CONECT   30   31   70
CONECT   31   32   71   72
CONECT   32   33   73   74
CONECT   33   34   35
CONECT   34   75
CONECT   35   36   37   76
CONECT   36   77
CONECT   37   38   78   79
CONECT   38   80
END

HMDB0010320
     RDKit          3D
Cortolone-3-glucuronide
 80 84  0  0  0  0  0  0  0  0999 V2000
    0.2277   -1.8859   -2.0371 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2294   -1.0922   -0.7520 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4704   -0.2335   -0.7644 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5828   -0.8028    0.0694 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917   -0.3024   -0.4149 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4925    0.4174    0.5347 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6033    1.7647    0.1550 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5236    2.3507    1.0212 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3365    3.8328    1.0693 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4414    4.3903    0.3849 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1389    4.6352    1.8650 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9042    2.0221    0.4763 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.9058    2.3735    1.3610 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9608    0.5642    0.1393 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9644    0.3798   -1.2416 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8227   -0.2300    0.7509 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0303   -0.3539    2.1367 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6748   -2.3014    0.0269 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3664   -2.9868    0.3148 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2364   -1.9571    0.4701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0382   -2.5931    0.8270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1853   -2.4091   -0.0881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1750   -1.2076   -0.9543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0278   -0.2520   -0.6667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2682    0.3406    0.6540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3756    0.8040    1.3431 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6487    0.3911    1.1984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6725    0.5737    0.0634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3774    1.9263   -0.5075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4359   -0.4286   -1.0468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6372   -1.3299   -1.1049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4896   -1.0235    0.0739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0003    0.3202    0.6241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9587    0.1041    2.0311 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0902    1.3026    0.4322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9137    2.5119    1.0911 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5333    1.5009   -1.0048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7650    2.1980   -1.0426 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2785   -2.1184   -2.3066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1335   -1.2060   -2.8633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3130   -2.8258   -1.9854 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2641    0.7961   -0.3632 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8119   -0.0725   -1.8083 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5108   -0.4724    1.1334 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8964    0.4139    1.4681 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4405    1.9749    2.0438 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8782    5.2232    1.4886 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0062    2.6359   -0.4586 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6988    1.8120    1.1311 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9001    0.1004    0.5391 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7717   -0.5629   -1.4783 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8867   -1.2553    0.3333 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4991   -1.0943    2.5164 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3755   -2.6006    0.8486 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1471   -2.6678   -0.9075 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3767   -3.5536    1.2707 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0847   -3.7183   -0.4711 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6141   -1.3009    1.3114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3426   -2.2555    1.8638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8488   -3.6983    0.9755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1318   -2.3898    0.5137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3066   -3.3587   -0.6953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9445   -1.5771   -2.0022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0610    0.5032   -1.4930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9088   -0.4378    1.8705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7535    1.3233    1.8172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3857    1.9139   -1.6393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3090    2.2417   -0.2954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9887    2.7509   -0.1835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4135    0.0989   -2.0505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2213   -1.2252   -2.0674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3537   -2.4135   -1.1042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5540   -0.9930   -0.2344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4325   -1.8398    0.8199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8268   -0.2941    2.2706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9972    0.8482    0.9429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1764    2.4777    2.0378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7704    2.0221   -1.6073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7400    0.5463   -1.5249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6395    2.9348   -0.3672 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  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
  8 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
  4 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 35 37  1  0
 37 38  1  0
 20  2  1  0
 30 23  1  0
 24  2  1  0
 33 28  1  0
 16  6  1  0
  1 39  1  0
  1 40  1  0
  1 41  1  0
  3 42  1  0
  3 43  1  0
  4 44  1  0
  6 45  1  1
  8 46  1  1
 11 47  1  0
 12 48  1  6
 13 49  1  0
 14 50  1  1
 15 51  1  0
 16 52  1  6
 17 53  1  0
 18 54  1  0
 18 55  1  0
 19 56  1  0
 19 57  1  0
 20 58  1  0
 21 59  1  0
 21 60  1  0
 22 61  1  0
 22 62  1  0
 23 63  1  0
 24 64  1  0
 27 65  1  0
 27 66  1  0
 29 67  1  0
 29 68  1  0
 29 69  1  0
 30 70  1  0
 31 71  1  0
 31 72  1  0
 32 73  1  0
 32 74  1  0
 34 75  1  0
 35 76  1  0
 36 77  1  0
 37 78  1  0
 37 79  1  0
 38 80  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
20 alpha-Cortolone-3-glucuronide	MeSH
20 beta-Cortolone-3-glucuronide	MeSH
20alpha-Cortolone-3-glucuronide	HMDB
20beta-Cortolone-3-glucuronide	HMDB
(2S,3S,4S,5R,6R)-6-{[14-(1,2-dihydroxyethyl)-14-hydroxy-2,15-dimethyl-17-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-4-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylate	Generator
Cortolone-3-glucuronide	MeSH

Chemical Formula

C₂₇H₄₂O₁₁

Average Molecular Weight

542.6158

Monoisotopic Molecular Weight

542.272712186

IUPAC Name

(2S,3S,4S,5R,6R)-6-{[14-(1,2-dihydroxyethyl)-14-hydroxy-2,15-dimethyl-17-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-4-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

Traditional Name

(2S,3S,4S,5R,6R)-6-{[14-(1,2-dihydroxyethyl)-14-hydroxy-2,15-dimethyl-17-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-4-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

CAS Registry Number

56162-46-0

SMILES

CC12CC(=O)C3C(CCC4CCC(CC34C)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C1CCC2(O)C(O)CO

InChI Identifier

InChI=1S/C27H42O11/c1-25-9-13(37-24-21(33)19(31)20(32)22(38-24)23(34)35)5-3-12(25)4-6-14-15-7-8-27(36,17(30)11-28)26(15,2)10-16(29)18(14)25/h12-15,17-22,24,28,30-33,36H,3-11H2,1-2H3,(H,34,35)/t12?,13?,14?,15?,17?,18?,19-,20-,21+,22-,24+,25?,26?,27?/m0/s1

InChI Key

OKNSFVSKHQJVRN-XAYCFROHSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as steroidal glycosides. These are sterol lipids containing a carbohydrate moiety glycosidically linked to the steroid skeleton.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Sub Class

Steroidal glycosides

Direct Parent

Steroidal glycosides

Alternative Parents

Substituents

Diterpene glycoside
Steroidal glycoside
21-hydroxysteroid
20-hydroxysteroid
Pregnane-skeleton
Diterpenoid
Hydroxysteroid
17-hydroxysteroid
11-oxosteroid
Oxosteroid
Terpene glycoside
1-o-glucuronide
O-glucuronide
Glucuronic acid or derivatives
Hexose monosaccharide
Glycosyl compound
O-glycosyl compound
Beta-hydroxy acid
Pyran
Oxane
Hydroxy acid
Monosaccharide
Tertiary alcohol
Cyclic alcohol
Ketone
Secondary alcohol
Monocarboxylic acid or derivatives
Organoheterocyclic compound
Oxacycle
Carboxylic acid derivative
Polyol
Acetal
Carboxylic acid
Organooxygen compound
Organic oxygen compound
Organic oxide
Alcohol
Carbonyl group
Primary alcohol
Hydrocarbon derivative
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (HMDB: HMDB0010320)

Cellular substructure

Organ

Liver (HMDB: HMDB0010320)
Kidney (HMDB: HMDB0010320)

Excreta

Biofluid or Excreta

Urine (PMID: 22624806)

Tissue

Nervous tissue

Hepatic tissue (HMDB: HMDB0010320)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0010320)

Source

Endogenous

Endogenous (HMDB: HMDB0010320)

Animal

Animal (HMDB: HMDB0010320)

Exogenous

Food

Food (HMDB: HMDB0010320)

Animal origin

Poultry

Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)
Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)
Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Equine

Horse (FooDB: FOOD00378)

Process

Naturally occurring process

Biological process

Chemical reaction

Lipid Peroxidation (HMDB: HMDB0010320)

Biochemical pathway

Metabolic pathway

Fatty Acid Metabolism (HMDB: HMDB0010320)

Lipid metabolism pathway (HMDB: HMDB0010320)

Cellular process

Cell signaling (HMDB: HMDB0010320)

Biochemical process

Lipid transport (HMDB: HMDB0010320)

Role

Biological role

Membrane stabilizer (HMDB: HMDB0010320)

Molecular messenger

Signaling molecule (HMDB: HMDB0010320)

Industrial application

Manufacturing industry

Material processing agent

Fluid processing agent

Surfactant

Surfactant (HMDB: HMDB0010320)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	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	1.9 g/L	ALOGPS
logP	-0.01	ALOGPS
logP	-0.57	ChemAxon
logS	-2.4	ALOGPS
pKa (Strongest Acidic)	3.56	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	194.21 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	129.72 m³·mol⁻¹	ChemAxon
Polarizability	56.6 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	226.056	31661259
DarkChem	[M-H]-	216.756	31661259
DeepCCS	[M-2H]-	258.514	30932474
DeepCCS	[M+Na]+	232.704	30932474
AllCCS	[M+H]+	225.7	32859911
AllCCS	[M+H-H2O]+	224.4	32859911
AllCCS	[M+NH4]+	226.8	32859911
AllCCS	[M+Na]+	227.1	32859911
AllCCS	[M-H]-	219.9	32859911
AllCCS	[M+Na-2H]-	221.9	32859911
AllCCS	[M+HCOO]-	224.2	32859911

Predicted Retention Times

Underivatized

Chromatographic Method	Retention Time	Reference
Measured using a Waters Acquity ultraperformance liquid chromatography (UPLC) ethylene-bridged hybrid (BEH) C18 column (100 mm × 2.1 mm; 1.7 μmparticle diameter). Predicted by Afia on May 17, 2022. Predicted by Afia on May 17, 2022.	3.91 minutes	32390414
Predicted by Siyang on May 30, 2022	11.8109 minutes	33406817
Predicted by Siyang using ReTip algorithm on June 8, 2022	5.23 minutes	32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid	197.4 seconds	40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid	2221.8 seconds	40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid	174.8 seconds	40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid	137.8 seconds	40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid	176.2 seconds	40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	184.3 seconds	40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid	389.0 seconds	40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid	492.5 seconds	40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)	468.6 seconds	40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid	787.4 seconds	40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid	408.9 seconds	40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid	1275.9 seconds	40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	271.8 seconds	40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	343.5 seconds	40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate	361.8 seconds	40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA	244.9 seconds	40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water	188.6 seconds	40023050

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Cortolone-3-glucuronide	CC12CC(=O)C3C(CCC4CCC(CC34C)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C1CCC2(O)C(O)CO	3135.1	Standard polar	33892256
Cortolone-3-glucuronide	CC12CC(=O)C3C(CCC4CCC(CC34C)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C1CCC2(O)C(O)CO	4231.4	Standard non polar	33892256
Cortolone-3-glucuronide	CC12CC(=O)C3C(CCC4CCC(CC34C)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C1CCC2(O)C(O)CO	4533.2	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Cortolone-3-glucuronide,1TMS,isomer #1	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(O)CO	4519.6	Semi standard non polar	33892256
Cortolone-3-glucuronide,1TMS,isomer #2	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(O)CO	4514.9	Semi standard non polar	33892256
Cortolone-3-glucuronide,1TMS,isomer #3	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(O)CO	4525.1	Semi standard non polar	33892256
Cortolone-3-glucuronide,1TMS,isomer #4	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(O)CO	4485.3	Semi standard non polar	33892256
Cortolone-3-glucuronide,1TMS,isomer #5	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O[Si](C)(C)C)C(O)CO	4513.3	Semi standard non polar	33892256
Cortolone-3-glucuronide,1TMS,isomer #6	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(CO)O[Si](C)(C)C	4489.4	Semi standard non polar	33892256
Cortolone-3-glucuronide,1TMS,isomer #7	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(O)CO[Si](C)(C)C	4508.9	Semi standard non polar	33892256
Cortolone-3-glucuronide,1TMS,isomer #8	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2=C(O[Si](C)(C)C)CC2(C)C1CCC2(O)C(O)CO	4329.1	Semi standard non polar	33892256
Cortolone-3-glucuronide,1TMS,isomer #9	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2C(O[Si](C)(C)C)=CC2(C)C1CCC2(O)C(O)CO	4432.8	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TMS,isomer #1	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(O)CO	4448.0	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TMS,isomer #10	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(O)CO	4475.5	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TMS,isomer #11	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O[Si](C)(C)C)C(O)CO	4437.2	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TMS,isomer #12	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(CO)O[Si](C)(C)C	4429.1	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TMS,isomer #13	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(O)CO[Si](C)(C)C	4445.9	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TMS,isomer #14	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)CCC1CCC1C2=C(O[Si](C)(C)C)CC2(C)C1CCC2(O)C(O)CO	4283.7	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TMS,isomer #15	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)CCC1CCC1C2C(O[Si](C)(C)C)=CC2(C)C1CCC2(O)C(O)CO	4350.8	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TMS,isomer #16	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(O)CO	4453.0	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TMS,isomer #17	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O[Si](C)(C)C)C(O)CO	4450.1	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TMS,isomer #18	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(CO)O[Si](C)(C)C	4430.7	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TMS,isomer #19	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(O)CO[Si](C)(C)C	4454.8	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TMS,isomer #2	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(O)CO	4470.0	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TMS,isomer #20	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)CCC1CCC1C2=C(O[Si](C)(C)C)CC2(C)C1CCC2(O)C(O)CO	4281.9	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TMS,isomer #21	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)CCC1CCC1C2C(O[Si](C)(C)C)=CC2(C)C1CCC2(O)C(O)CO	4359.8	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TMS,isomer #22	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O[Si](C)(C)C)C(O)CO	4414.4	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TMS,isomer #23	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(CO)O[Si](C)(C)C	4394.4	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TMS,isomer #24	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(O)CO[Si](C)(C)C	4406.2	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TMS,isomer #25	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2=C(O[Si](C)(C)C)CC2(C)C1CCC2(O)C(O)CO	4262.6	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TMS,isomer #26	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2C(O[Si](C)(C)C)=CC2(C)C1CCC2(O)C(O)CO	4338.8	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TMS,isomer #27	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	4398.8	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TMS,isomer #28	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O[Si](C)(C)C)C(O)CO[Si](C)(C)C	4447.4	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TMS,isomer #29	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2=C(O[Si](C)(C)C)CC2(C)C1CCC2(O[Si](C)(C)C)C(O)CO	4254.8	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TMS,isomer #3	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(O)CO	4480.7	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TMS,isomer #30	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2C(O[Si](C)(C)C)=CC2(C)C1CCC2(O[Si](C)(C)C)C(O)CO	4313.2	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TMS,isomer #31	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(CO[Si](C)(C)C)O[Si](C)(C)C	4406.9	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TMS,isomer #32	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2=C(O[Si](C)(C)C)CC2(C)C1CCC2(O)C(CO)O[Si](C)(C)C	4263.6	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TMS,isomer #33	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2C(O[Si](C)(C)C)=CC2(C)C1CCC2(O)C(CO)O[Si](C)(C)C	4310.3	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TMS,isomer #34	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2=C(O[Si](C)(C)C)CC2(C)C1CCC2(O)C(O)CO[Si](C)(C)C	4258.0	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TMS,isomer #35	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2C(O[Si](C)(C)C)=CC2(C)C1CCC2(O)C(O)CO[Si](C)(C)C	4324.6	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TMS,isomer #4	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O[Si](C)(C)C)C(O)CO	4443.7	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TMS,isomer #5	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(CO)O[Si](C)(C)C	4427.4	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TMS,isomer #6	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(O)CO[Si](C)(C)C	4449.2	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TMS,isomer #7	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)CCC1CCC1C2=C(O[Si](C)(C)C)CC2(C)C1CCC2(O)C(O)CO	4275.3	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TMS,isomer #8	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)CCC1CCC1C2C(O[Si](C)(C)C)=CC2(C)C1CCC2(O)C(O)CO	4353.3	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TMS,isomer #9	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(O)CO	4438.4	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #1	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(O)CO	4366.7	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #10	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(CO)O[Si](C)(C)C	4365.5	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #11	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(O)CO[Si](C)(C)C	4357.2	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #12	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)CCC1CCC1C2=C(O[Si](C)(C)C)CC2(C)C1CCC2(O)C(O)CO	4197.1	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #13	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)CCC1CCC1C2C(O[Si](C)(C)C)=CC2(C)C1CCC2(O)C(O)CO	4249.3	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #14	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O[Si](C)(C)C)C(O)CO	4363.1	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #15	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(CO)O[Si](C)(C)C	4368.8	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #16	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(O)CO[Si](C)(C)C	4364.8	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #17	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)CCC1CCC1C2=C(O[Si](C)(C)C)CC2(C)C1CCC2(O)C(O)CO	4206.6	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #18	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)CCC1CCC1C2C(O[Si](C)(C)C)=CC2(C)C1CCC2(O)C(O)CO	4257.8	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #19	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	4327.9	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #2	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(O)CO	4380.3	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #20	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O[Si](C)(C)C)C(O)CO[Si](C)(C)C	4352.2	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #21	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)CCC1CCC1C2=C(O[Si](C)(C)C)CC2(C)C1CCC2(O[Si](C)(C)C)C(O)CO	4174.3	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #22	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)CCC1CCC1C2C(O[Si](C)(C)C)=CC2(C)C1CCC2(O[Si](C)(C)C)C(O)CO	4218.5	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #23	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(CO[Si](C)(C)C)O[Si](C)(C)C	4347.0	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #24	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)CCC1CCC1C2=C(O[Si](C)(C)C)CC2(C)C1CCC2(O)C(CO)O[Si](C)(C)C	4207.8	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #25	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)CCC1CCC1C2C(O[Si](C)(C)C)=CC2(C)C1CCC2(O)C(CO)O[Si](C)(C)C	4235.0	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #26	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)CCC1CCC1C2=C(O[Si](C)(C)C)CC2(C)C1CCC2(O)C(O)CO[Si](C)(C)C	4186.4	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #27	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)CCC1CCC1C2C(O[Si](C)(C)C)=CC2(C)C1CCC2(O)C(O)CO[Si](C)(C)C	4226.5	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #28	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(O)CO	4388.1	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #29	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O[Si](C)(C)C)C(O)CO	4322.8	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #3	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O[Si](C)(C)C)C(O)CO	4337.6	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #30	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(CO)O[Si](C)(C)C	4336.2	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #31	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(O)CO[Si](C)(C)C	4326.0	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #32	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)CCC1CCC1C2=C(O[Si](C)(C)C)CC2(C)C1CCC2(O)C(O)CO	4187.4	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #33	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)CCC1CCC1C2C(O[Si](C)(C)C)=CC2(C)C1CCC2(O)C(O)CO	4233.0	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #34	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O[Si](C)(C)C)C(O)CO	4367.3	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #35	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(CO)O[Si](C)(C)C	4373.5	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #36	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(O)CO[Si](C)(C)C	4368.2	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #37	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)CCC1CCC1C2=C(O[Si](C)(C)C)CC2(C)C1CCC2(O)C(O)CO	4203.8	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #38	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)CCC1CCC1C2C(O[Si](C)(C)C)=CC2(C)C1CCC2(O)C(O)CO	4261.3	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #39	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	4327.1	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #4	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(CO)O[Si](C)(C)C	4348.4	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #40	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O[Si](C)(C)C)C(O)CO[Si](C)(C)C	4353.9	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #41	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)CCC1CCC1C2=C(O[Si](C)(C)C)CC2(C)C1CCC2(O[Si](C)(C)C)C(O)CO	4185.6	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #42	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)CCC1CCC1C2C(O[Si](C)(C)C)=CC2(C)C1CCC2(O[Si](C)(C)C)C(O)CO	4208.8	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #43	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(CO[Si](C)(C)C)O[Si](C)(C)C	4346.1	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #44	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)CCC1CCC1C2=C(O[Si](C)(C)C)CC2(C)C1CCC2(O)C(CO)O[Si](C)(C)C	4213.7	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #45	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)CCC1CCC1C2C(O[Si](C)(C)C)=CC2(C)C1CCC2(O)C(CO)O[Si](C)(C)C	4227.0	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #46	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)CCC1CCC1C2=C(O[Si](C)(C)C)CC2(C)C1CCC2(O)C(O)CO[Si](C)(C)C	4190.6	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #47	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)CCC1CCC1C2C(O[Si](C)(C)C)=CC2(C)C1CCC2(O)C(O)CO[Si](C)(C)C	4224.0	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #48	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O[Si](C)(C)C)C(O)CO	4338.1	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #49	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(CO)O[Si](C)(C)C	4348.4	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #5	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(O)CO[Si](C)(C)C	4333.8	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #50	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(O)CO[Si](C)(C)C	4339.8	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #51	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)CCC1CCC1C2=C(O[Si](C)(C)C)CC2(C)C1CCC2(O)C(O)CO	4203.5	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #52	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)CCC1CCC1C2C(O[Si](C)(C)C)=CC2(C)C1CCC2(O)C(O)CO	4251.1	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #53	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	4329.5	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #54	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O[Si](C)(C)C)C(O)CO[Si](C)(C)C	4356.2	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #55	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)CCC1CCC1C2=C(O[Si](C)(C)C)CC2(C)C1CCC2(O[Si](C)(C)C)C(O)CO	4177.0	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #56	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)CCC1CCC1C2C(O[Si](C)(C)C)=CC2(C)C1CCC2(O[Si](C)(C)C)C(O)CO	4219.8	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #57	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(CO[Si](C)(C)C)O[Si](C)(C)C	4351.1	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #58	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)CCC1CCC1C2=C(O[Si](C)(C)C)CC2(C)C1CCC2(O)C(CO)O[Si](C)(C)C	4207.2	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #59	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)CCC1CCC1C2C(O[Si](C)(C)C)=CC2(C)C1CCC2(O)C(CO)O[Si](C)(C)C	4238.3	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #6	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)CCC1CCC1C2=C(O[Si](C)(C)C)CC2(C)C1CCC2(O)C(O)CO	4199.5	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #60	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)CCC1CCC1C2=C(O[Si](C)(C)C)CC2(C)C1CCC2(O)C(O)CO[Si](C)(C)C	4191.0	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #61	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)CCC1CCC1C2C(O[Si](C)(C)C)=CC2(C)C1CCC2(O)C(O)CO[Si](C)(C)C	4237.8	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #62	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	4293.6	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #63	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O[Si](C)(C)C)C(O)CO[Si](C)(C)C	4320.2	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #64	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2=C(O[Si](C)(C)C)CC2(C)C1CCC2(O[Si](C)(C)C)C(O)CO	4166.2	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #65	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2C(O[Si](C)(C)C)=CC2(C)C1CCC2(O[Si](C)(C)C)C(O)CO	4198.0	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #66	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(CO[Si](C)(C)C)O[Si](C)(C)C	4316.1	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #67	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2=C(O[Si](C)(C)C)CC2(C)C1CCC2(O)C(CO)O[Si](C)(C)C	4200.4	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #68	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2C(O[Si](C)(C)C)=CC2(C)C1CCC2(O)C(CO)O[Si](C)(C)C	4220.5	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #69	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2=C(O[Si](C)(C)C)CC2(C)C1CCC2(O)C(O)CO[Si](C)(C)C	4177.7	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #7	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)CCC1CCC1C2C(O[Si](C)(C)C)=CC2(C)C1CCC2(O)C(O)CO	4246.0	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #70	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2C(O[Si](C)(C)C)=CC2(C)C1CCC2(O)C(O)CO[Si](C)(C)C	4207.7	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #71	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C	4318.7	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #72	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2=C(O[Si](C)(C)C)CC2(C)C1CCC2(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	4182.2	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #73	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2C(O[Si](C)(C)C)=CC2(C)C1CCC2(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	4193.9	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #74	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2=C(O[Si](C)(C)C)CC2(C)C1CCC2(O[Si](C)(C)C)C(O)CO[Si](C)(C)C	4199.6	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #75	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2C(O[Si](C)(C)C)=CC2(C)C1CCC2(O[Si](C)(C)C)C(O)CO[Si](C)(C)C	4225.6	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #76	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2=C(O[Si](C)(C)C)CC2(C)C1CCC2(O)C(CO[Si](C)(C)C)O[Si](C)(C)C	4192.5	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #77	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2C(O[Si](C)(C)C)=CC2(C)C1CCC2(O)C(CO[Si](C)(C)C)O[Si](C)(C)C	4225.0	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #8	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(O)CO	4422.0	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TMS,isomer #9	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O[Si](C)(C)C)C(O)CO	4362.0	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #1	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(O)CO	4305.4	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #10	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)CCC1CCC1C2=C(O[Si](C)(C)C)CC2(C)C1CCC2(O)C(O)CO	4120.3	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #100	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2=C(O[Si](C)(C)C)CC2(C)C1CCC2(O[Si](C)(C)C)C(O)CO[Si](C)(C)C	4108.9	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #101	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2C(O[Si](C)(C)C)=CC2(C)C1CCC2(O[Si](C)(C)C)C(O)CO[Si](C)(C)C	4105.5	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #102	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2=C(O[Si](C)(C)C)CC2(C)C1CCC2(O)C(CO[Si](C)(C)C)O[Si](C)(C)C	4130.8	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #103	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2C(O[Si](C)(C)C)=CC2(C)C1CCC2(O)C(CO[Si](C)(C)C)O[Si](C)(C)C	4136.8	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #104	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2=C(O[Si](C)(C)C)CC2(C)C1CCC2(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C	4133.1	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #105	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2C(O[Si](C)(C)C)=CC2(C)C1CCC2(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C	4141.9	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #11	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)CCC1CCC1C2C(O[Si](C)(C)C)=CC2(C)C1CCC2(O)C(O)CO	4158.3	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #12	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	4237.9	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #13	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O[Si](C)(C)C)C(O)CO[Si](C)(C)C	4224.2	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #14	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)CCC1CCC1C2=C(O[Si](C)(C)C)CC2(C)C1CCC2(O[Si](C)(C)C)C(O)CO	4105.0	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #15	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)CCC1CCC1C2C(O[Si](C)(C)C)=CC2(C)C1CCC2(O[Si](C)(C)C)C(O)CO	4112.5	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #16	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(CO[Si](C)(C)C)O[Si](C)(C)C	4244.5	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #17	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)CCC1CCC1C2=C(O[Si](C)(C)C)CC2(C)C1CCC2(O)C(CO)O[Si](C)(C)C	4146.8	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #18	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)CCC1CCC1C2C(O[Si](C)(C)C)=CC2(C)C1CCC2(O)C(CO)O[Si](C)(C)C	4145.7	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #19	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)CCC1CCC1C2=C(O[Si](C)(C)C)CC2(C)C1CCC2(O)C(O)CO[Si](C)(C)C	4108.3	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #2	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O[Si](C)(C)C)C(O)CO	4228.8	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #20	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)CCC1CCC1C2C(O[Si](C)(C)C)=CC2(C)C1CCC2(O)C(O)CO[Si](C)(C)C	4121.9	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #21	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O[Si](C)(C)C)C(O)CO	4295.7	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #22	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(CO)O[Si](C)(C)C	4316.6	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #23	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(O)CO[Si](C)(C)C	4291.0	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #24	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)CCC1CCC1C2=C(O[Si](C)(C)C)CC2(C)C1CCC2(O)C(O)CO	4136.8	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #25	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)CCC1CCC1C2C(O[Si](C)(C)C)=CC2(C)C1CCC2(O)C(O)CO	4193.2	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #26	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	4262.8	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #27	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O[Si](C)(C)C)C(O)CO[Si](C)(C)C	4259.6	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #28	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)CCC1CCC1C2=C(O[Si](C)(C)C)CC2(C)C1CCC2(O[Si](C)(C)C)C(O)CO	4098.8	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #29	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)CCC1CCC1C2C(O[Si](C)(C)C)=CC2(C)C1CCC2(O[Si](C)(C)C)C(O)CO	4135.2	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #3	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(CO)O[Si](C)(C)C	4254.3	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #30	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(CO[Si](C)(C)C)O[Si](C)(C)C	4274.3	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #31	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)CCC1CCC1C2=C(O[Si](C)(C)C)CC2(C)C1CCC2(O)C(CO)O[Si](C)(C)C	4140.4	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #32	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)CCC1CCC1C2C(O[Si](C)(C)C)=CC2(C)C1CCC2(O)C(CO)O[Si](C)(C)C	4159.7	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #33	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)CCC1CCC1C2=C(O[Si](C)(C)C)CC2(C)C1CCC2(O)C(O)CO[Si](C)(C)C	4097.7	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #34	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)CCC1CCC1C2C(O[Si](C)(C)C)=CC2(C)C1CCC2(O)C(O)CO[Si](C)(C)C	4130.6	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #35	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	4254.6	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #36	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O[Si](C)(C)C)C(O)CO[Si](C)(C)C	4252.6	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #37	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)CCC1CCC1C2=C(O[Si](C)(C)C)CC2(C)C1CCC2(O[Si](C)(C)C)C(O)CO	4101.2	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #38	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)CCC1CCC1C2C(O[Si](C)(C)C)=CC2(C)C1CCC2(O[Si](C)(C)C)C(O)CO	4131.0	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #39	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(CO[Si](C)(C)C)O[Si](C)(C)C	4272.4	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #4	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(O)CO[Si](C)(C)C	4226.9	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #40	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)CCC1CCC1C2=C(O[Si](C)(C)C)CC2(C)C1CCC2(O)C(CO)O[Si](C)(C)C	4145.4	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #41	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)CCC1CCC1C2C(O[Si](C)(C)C)=CC2(C)C1CCC2(O)C(CO)O[Si](C)(C)C	4162.1	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #42	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)CCC1CCC1C2=C(O[Si](C)(C)C)CC2(C)C1CCC2(O)C(O)CO[Si](C)(C)C	4105.2	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #43	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)CCC1CCC1C2C(O[Si](C)(C)C)=CC2(C)C1CCC2(O)C(O)CO[Si](C)(C)C	4137.4	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #44	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C	4261.9	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #45	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)CCC1CCC1C2=C(O[Si](C)(C)C)CC2(C)C1CCC2(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	4132.7	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #46	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)CCC1CCC1C2C(O[Si](C)(C)C)=CC2(C)C1CCC2(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	4144.7	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #47	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)CCC1CCC1C2=C(O[Si](C)(C)C)CC2(C)C1CCC2(O[Si](C)(C)C)C(O)CO[Si](C)(C)C	4126.4	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #48	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)CCC1CCC1C2C(O[Si](C)(C)C)=CC2(C)C1CCC2(O[Si](C)(C)C)C(O)CO[Si](C)(C)C	4139.4	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #49	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)CCC1CCC1C2=C(O[Si](C)(C)C)CC2(C)C1CCC2(O)C(CO[Si](C)(C)C)O[Si](C)(C)C	4142.1	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #5	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)CCC1CCC1C2=C(O[Si](C)(C)C)CC2(C)C1CCC2(O)C(O)CO	4111.3	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #50	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)CCC1CCC1C2C(O[Si](C)(C)C)=CC2(C)C1CCC2(O)C(CO[Si](C)(C)C)O[Si](C)(C)C	4158.5	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #51	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O[Si](C)(C)C)C(O)CO	4242.0	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #52	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(CO)O[Si](C)(C)C	4269.5	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #53	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(O)CO[Si](C)(C)C	4245.6	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #54	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)CCC1CCC1C2=C(O[Si](C)(C)C)CC2(C)C1CCC2(O)C(O)CO	4114.1	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #55	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)CCC1CCC1C2C(O[Si](C)(C)C)=CC2(C)C1CCC2(O)C(O)CO	4154.4	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #56	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	4225.1	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #57	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O[Si](C)(C)C)C(O)CO[Si](C)(C)C	4219.8	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #58	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)CCC1CCC1C2=C(O[Si](C)(C)C)CC2(C)C1CCC2(O[Si](C)(C)C)C(O)CO	4091.3	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #59	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)CCC1CCC1C2C(O[Si](C)(C)C)=CC2(C)C1CCC2(O[Si](C)(C)C)C(O)CO	4095.1	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #6	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)CCC1CCC1C2C(O[Si](C)(C)C)=CC2(C)C1CCC2(O)C(O)CO	4148.3	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #60	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(CO[Si](C)(C)C)O[Si](C)(C)C	4234.6	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #61	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)CCC1CCC1C2=C(O[Si](C)(C)C)CC2(C)C1CCC2(O)C(CO)O[Si](C)(C)C	4133.8	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #62	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)CCC1CCC1C2C(O[Si](C)(C)C)=CC2(C)C1CCC2(O)C(CO)O[Si](C)(C)C	4128.1	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #63	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)CCC1CCC1C2=C(O[Si](C)(C)C)CC2(C)C1CCC2(O)C(O)CO[Si](C)(C)C	4098.4	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #64	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)CCC1CCC1C2C(O[Si](C)(C)C)=CC2(C)C1CCC2(O)C(O)CO[Si](C)(C)C	4101.3	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #65	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	4263.5	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #66	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O[Si](C)(C)C)C(O)CO[Si](C)(C)C	4263.6	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #67	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)CCC1CCC1C2=C(O[Si](C)(C)C)CC2(C)C1CCC2(O[Si](C)(C)C)C(O)CO	4100.8	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #68	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)CCC1CCC1C2C(O[Si](C)(C)C)=CC2(C)C1CCC2(O[Si](C)(C)C)C(O)CO	4140.5	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #69	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(CO[Si](C)(C)C)O[Si](C)(C)C	4282.3	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #7	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O[Si](C)(C)C)C(O)CO	4230.0	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #70	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)CCC1CCC1C2=C(O[Si](C)(C)C)CC2(C)C1CCC2(O)C(CO)O[Si](C)(C)C	4144.4	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #71	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)CCC1CCC1C2C(O[Si](C)(C)C)=CC2(C)C1CCC2(O)C(CO)O[Si](C)(C)C	4162.9	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #72	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)CCC1CCC1C2=C(O[Si](C)(C)C)CC2(C)C1CCC2(O)C(O)CO[Si](C)(C)C	4104.3	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #73	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)CCC1CCC1C2C(O[Si](C)(C)C)=CC2(C)C1CCC2(O)C(O)CO[Si](C)(C)C	4137.1	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #74	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C	4262.7	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #75	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)CCC1CCC1C2=C(O[Si](C)(C)C)CC2(C)C1CCC2(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	4122.9	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #76	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)CCC1CCC1C2C(O[Si](C)(C)C)=CC2(C)C1CCC2(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	4134.0	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #77	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)CCC1CCC1C2=C(O[Si](C)(C)C)CC2(C)C1CCC2(O[Si](C)(C)C)C(O)CO[Si](C)(C)C	4119.1	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #78	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)CCC1CCC1C2C(O[Si](C)(C)C)=CC2(C)C1CCC2(O[Si](C)(C)C)C(O)CO[Si](C)(C)C	4133.6	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #79	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)CCC1CCC1C2=C(O[Si](C)(C)C)CC2(C)C1CCC2(O)C(CO[Si](C)(C)C)O[Si](C)(C)C	4134.3	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #8	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(CO)O[Si](C)(C)C	4262.8	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #80	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)CCC1CCC1C2C(O[Si](C)(C)C)=CC2(C)C1CCC2(O)C(CO[Si](C)(C)C)O[Si](C)(C)C	4146.1	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #81	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	4231.2	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #82	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O[Si](C)(C)C)C(O)CO[Si](C)(C)C	4222.1	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #83	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)CCC1CCC1C2=C(O[Si](C)(C)C)CC2(C)C1CCC2(O[Si](C)(C)C)C(O)CO	4096.6	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #84	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)CCC1CCC1C2C(O[Si](C)(C)C)=CC2(C)C1CCC2(O[Si](C)(C)C)C(O)CO	4106.5	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #85	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(CO[Si](C)(C)C)O[Si](C)(C)C	4245.3	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #86	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)CCC1CCC1C2=C(O[Si](C)(C)C)CC2(C)C1CCC2(O)C(CO)O[Si](C)(C)C	4142.8	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #87	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)CCC1CCC1C2C(O[Si](C)(C)C)=CC2(C)C1CCC2(O)C(CO)O[Si](C)(C)C	4142.0	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #88	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)CCC1CCC1C2=C(O[Si](C)(C)C)CC2(C)C1CCC2(O)C(O)CO[Si](C)(C)C	4106.1	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #89	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)CCC1CCC1C2C(O[Si](C)(C)C)=CC2(C)C1CCC2(O)C(O)CO[Si](C)(C)C	4119.4	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #9	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(O)CO[Si](C)(C)C	4233.2	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #90	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C	4257.0	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #91	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)CCC1CCC1C2=C(O[Si](C)(C)C)CC2(C)C1CCC2(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	4123.9	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #92	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)CCC1CCC1C2C(O[Si](C)(C)C)=CC2(C)C1CCC2(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	4137.2	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #93	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)CCC1CCC1C2=C(O[Si](C)(C)C)CC2(C)C1CCC2(O[Si](C)(C)C)C(O)CO[Si](C)(C)C	4119.3	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #94	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)CCC1CCC1C2C(O[Si](C)(C)C)=CC2(C)C1CCC2(O[Si](C)(C)C)C(O)CO[Si](C)(C)C	4133.6	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #95	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)CCC1CCC1C2=C(O[Si](C)(C)C)CC2(C)C1CCC2(O)C(CO[Si](C)(C)C)O[Si](C)(C)C	4136.3	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #96	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)CCC1CCC1C2C(O[Si](C)(C)C)=CC2(C)C1CCC2(O)C(CO[Si](C)(C)C)O[Si](C)(C)C	4155.8	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #97	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C	4231.3	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #98	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2=C(O[Si](C)(C)C)CC2(C)C1CCC2(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	4119.3	Semi standard non polar	33892256
Cortolone-3-glucuronide,4TMS,isomer #99	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2C(O[Si](C)(C)C)=CC2(C)C1CCC2(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	4114.4	Semi standard non polar	33892256
Cortolone-3-glucuronide,1TBDMS,isomer #1	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(O)CO	4721.7	Semi standard non polar	33892256
Cortolone-3-glucuronide,1TBDMS,isomer #2	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(O)CO	4720.4	Semi standard non polar	33892256
Cortolone-3-glucuronide,1TBDMS,isomer #3	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(O)CO	4732.1	Semi standard non polar	33892256
Cortolone-3-glucuronide,1TBDMS,isomer #4	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(O)CO	4730.7	Semi standard non polar	33892256
Cortolone-3-glucuronide,1TBDMS,isomer #5	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O[Si](C)(C)C(C)(C)C)C(O)CO	4723.1	Semi standard non polar	33892256
Cortolone-3-glucuronide,1TBDMS,isomer #6	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(CO)O[Si](C)(C)C(C)(C)C	4707.9	Semi standard non polar	33892256
Cortolone-3-glucuronide,1TBDMS,isomer #7	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(O)CO[Si](C)(C)C(C)(C)C	4713.0	Semi standard non polar	33892256
Cortolone-3-glucuronide,1TBDMS,isomer #8	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2=C(O[Si](C)(C)C(C)(C)C)CC2(C)C1CCC2(O)C(O)CO	4611.5	Semi standard non polar	33892256
Cortolone-3-glucuronide,1TBDMS,isomer #9	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2C(O[Si](C)(C)C(C)(C)C)=CC2(C)C1CCC2(O)C(O)CO	4660.5	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TBDMS,isomer #1	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(O)CO	4878.7	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TBDMS,isomer #10	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(O)CO	4889.2	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TBDMS,isomer #11	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O[Si](C)(C)C(C)(C)C)C(O)CO	4834.2	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TBDMS,isomer #12	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(CO)O[Si](C)(C)C(C)(C)C	4850.5	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TBDMS,isomer #13	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(O)CO[Si](C)(C)C(C)(C)C	4861.4	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TBDMS,isomer #14	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)CCC1CCC1C2=C(O[Si](C)(C)C(C)(C)C)CC2(C)C1CCC2(O)C(O)CO	4736.6	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TBDMS,isomer #15	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)CCC1CCC1C2C(O[Si](C)(C)C(C)(C)C)=CC2(C)C1CCC2(O)C(O)CO	4783.1	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TBDMS,isomer #16	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(O)CO	4887.7	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TBDMS,isomer #17	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O[Si](C)(C)C(C)(C)C)C(O)CO	4857.2	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TBDMS,isomer #18	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(CO)O[Si](C)(C)C(C)(C)C	4862.8	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TBDMS,isomer #19	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(O)CO[Si](C)(C)C(C)(C)C	4880.8	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TBDMS,isomer #2	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(O)CO	4876.8	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TBDMS,isomer #20	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)CCC1CCC1C2=C(O[Si](C)(C)C(C)(C)C)CC2(C)C1CCC2(O)C(O)CO	4748.3	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TBDMS,isomer #21	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)CCC1CCC1C2C(O[Si](C)(C)C(C)(C)C)=CC2(C)C1CCC2(O)C(O)CO	4799.2	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TBDMS,isomer #22	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O[Si](C)(C)C(C)(C)C)C(O)CO	4838.5	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TBDMS,isomer #23	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(CO)O[Si](C)(C)C(C)(C)C	4847.3	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TBDMS,isomer #24	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(O)CO[Si](C)(C)C(C)(C)C	4855.1	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TBDMS,isomer #25	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2=C(O[Si](C)(C)C(C)(C)C)CC2(C)C1CCC2(O)C(O)CO	4737.7	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TBDMS,isomer #26	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2C(O[Si](C)(C)C(C)(C)C)=CC2(C)C1CCC2(O)C(O)CO	4793.3	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TBDMS,isomer #27	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C	4838.7	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TBDMS,isomer #28	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C	4868.8	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TBDMS,isomer #29	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2=C(O[Si](C)(C)C(C)(C)C)CC2(C)C1CCC2(O[Si](C)(C)C(C)(C)C)C(O)CO	4722.0	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TBDMS,isomer #3	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(O)CO	4885.8	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TBDMS,isomer #30	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2C(O[Si](C)(C)C(C)(C)C)=CC2(C)C1CCC2(O[Si](C)(C)C(C)(C)C)C(O)CO	4755.4	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TBDMS,isomer #31	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4855.8	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TBDMS,isomer #32	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2=C(O[Si](C)(C)C(C)(C)C)CC2(C)C1CCC2(O)C(CO)O[Si](C)(C)C(C)(C)C	4734.9	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TBDMS,isomer #33	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2C(O[Si](C)(C)C(C)(C)C)=CC2(C)C1CCC2(O)C(CO)O[Si](C)(C)C(C)(C)C	4772.3	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TBDMS,isomer #34	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2=C(O[Si](C)(C)C(C)(C)C)CC2(C)C1CCC2(O)C(O)CO[Si](C)(C)C(C)(C)C	4722.7	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TBDMS,isomer #35	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2C(O[Si](C)(C)C(C)(C)C)=CC2(C)C1CCC2(O)C(O)CO[Si](C)(C)C(C)(C)C	4766.1	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TBDMS,isomer #4	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O[Si](C)(C)C(C)(C)C)C(O)CO	4839.2	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TBDMS,isomer #5	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(CO)O[Si](C)(C)C(C)(C)C	4847.8	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TBDMS,isomer #6	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(O)CO[Si](C)(C)C(C)(C)C	4861.7	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TBDMS,isomer #7	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)CCC1CCC1C2=C(O[Si](C)(C)C(C)(C)C)CC2(C)C1CCC2(O)C(O)CO	4730.3	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TBDMS,isomer #8	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)CCC1CCC1C2C(O[Si](C)(C)C(C)(C)C)=CC2(C)C1CCC2(O)C(O)CO	4776.3	Semi standard non polar	33892256
Cortolone-3-glucuronide,2TBDMS,isomer #9	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(O)CO	4866.0	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #1	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(O)CO	5003.1	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #10	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(CO)O[Si](C)(C)C(C)(C)C	4990.1	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #11	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(O)CO[Si](C)(C)C(C)(C)C	4988.5	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #12	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)CCC1CCC1C2=C(O[Si](C)(C)C(C)(C)C)CC2(C)C1CCC2(O)C(O)CO	4848.3	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #13	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)CCC1CCC1C2C(O[Si](C)(C)C(C)(C)C)=CC2(C)C1CCC2(O)C(O)CO	4878.4	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #14	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O[Si](C)(C)C(C)(C)C)C(O)CO	4963.8	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #15	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(CO)O[Si](C)(C)C(C)(C)C	4999.2	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #16	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(O)CO[Si](C)(C)C(C)(C)C	5002.0	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #17	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)CCC1CCC1C2=C(O[Si](C)(C)C(C)(C)C)CC2(C)C1CCC2(O)C(O)CO	4868.1	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #18	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)CCC1CCC1C2C(O[Si](C)(C)C(C)(C)C)=CC2(C)C1CCC2(O)C(O)CO	4894.1	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #19	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C	4966.0	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #2	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(O)CO	5013.4	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #20	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C	4979.7	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #21	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)CCC1CCC1C2=C(O[Si](C)(C)C(C)(C)C)CC2(C)C1CCC2(O[Si](C)(C)C(C)(C)C)C(O)CO	4830.6	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #22	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)CCC1CCC1C2C(O[Si](C)(C)C(C)(C)C)=CC2(C)C1CCC2(O[Si](C)(C)C(C)(C)C)C(O)CO	4843.7	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #23	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	5001.1	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #24	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)CCC1CCC1C2=C(O[Si](C)(C)C(C)(C)C)CC2(C)C1CCC2(O)C(CO)O[Si](C)(C)C(C)(C)C	4864.8	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #25	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)CCC1CCC1C2C(O[Si](C)(C)C(C)(C)C)=CC2(C)C1CCC2(O)C(CO)O[Si](C)(C)C(C)(C)C	4881.9	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #26	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)CCC1CCC1C2=C(O[Si](C)(C)C(C)(C)C)CC2(C)C1CCC2(O)C(O)CO[Si](C)(C)C(C)(C)C	4844.9	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #27	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)CCC1CCC1C2C(O[Si](C)(C)C(C)(C)C)=CC2(C)C1CCC2(O)C(O)CO[Si](C)(C)C(C)(C)C	4867.6	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #28	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(O)CO	5014.4	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #29	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O[Si](C)(C)C(C)(C)C)C(O)CO	4940.1	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #3	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O[Si](C)(C)C(C)(C)C)C(O)CO	4964.5	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #30	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(CO)O[Si](C)(C)C(C)(C)C	4982.4	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #31	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(O)CO[Si](C)(C)C(C)(C)C	4979.0	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #32	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)CCC1CCC1C2=C(O[Si](C)(C)C(C)(C)C)CC2(C)C1CCC2(O)C(O)CO	4856.5	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #33	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)CCC1CCC1C2C(O[Si](C)(C)C(C)(C)C)=CC2(C)C1CCC2(O)C(O)CO	4880.7	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #34	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O[Si](C)(C)C(C)(C)C)C(O)CO	4963.8	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #35	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(CO)O[Si](C)(C)C(C)(C)C	5000.0	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #36	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(O)CO[Si](C)(C)C(C)(C)C	5002.5	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #37	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)CCC1CCC1C2=C(O[Si](C)(C)C(C)(C)C)CC2(C)C1CCC2(O)C(O)CO	4861.0	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #38	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)CCC1CCC1C2C(O[Si](C)(C)C(C)(C)C)=CC2(C)C1CCC2(O)C(O)CO	4890.4	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #39	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C	4964.7	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #4	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(CO)O[Si](C)(C)C(C)(C)C	4997.8	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #40	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C	4980.2	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #41	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)CCC1CCC1C2=C(O[Si](C)(C)C(C)(C)C)CC2(C)C1CCC2(O[Si](C)(C)C(C)(C)C)C(O)CO	4825.1	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #42	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)CCC1CCC1C2C(O[Si](C)(C)C(C)(C)C)=CC2(C)C1CCC2(O[Si](C)(C)C(C)(C)C)C(O)CO	4846.1	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #43	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	5002.1	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #44	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)CCC1CCC1C2=C(O[Si](C)(C)C(C)(C)C)CC2(C)C1CCC2(O)C(CO)O[Si](C)(C)C(C)(C)C	4860.7	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #45	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)CCC1CCC1C2C(O[Si](C)(C)C(C)(C)C)=CC2(C)C1CCC2(O)C(CO)O[Si](C)(C)C(C)(C)C	4884.2	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #46	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)CCC1CCC1C2=C(O[Si](C)(C)C(C)(C)C)CC2(C)C1CCC2(O)C(O)CO[Si](C)(C)C(C)(C)C	4841.9	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #47	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)CCC1CCC1C2C(O[Si](C)(C)C(C)(C)C)=CC2(C)C1CCC2(O)C(O)CO[Si](C)(C)C(C)(C)C	4870.5	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #48	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O[Si](C)(C)C(C)(C)C)C(O)CO	4968.0	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #49	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(CO)O[Si](C)(C)C(C)(C)C	4999.9	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #5	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(O)CO[Si](C)(C)C(C)(C)C	4998.9	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #50	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(O)CO[Si](C)(C)C(C)(C)C	5005.5	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #51	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)CCC1CCC1C2=C(O[Si](C)(C)C(C)(C)C)CC2(C)C1CCC2(O)C(O)CO	4879.7	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #52	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)CCC1CCC1C2C(O[Si](C)(C)C(C)(C)C)=CC2(C)C1CCC2(O)C(O)CO	4906.5	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #53	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C	4980.4	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #54	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C	4996.8	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #55	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)CCC1CCC1C2=C(O[Si](C)(C)C(C)(C)C)CC2(C)C1CCC2(O[Si](C)(C)C(C)(C)C)C(O)CO	4839.8	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #56	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)CCC1CCC1C2C(O[Si](C)(C)C(C)(C)C)=CC2(C)C1CCC2(O[Si](C)(C)C(C)(C)C)C(O)CO	4854.2	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #57	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	5018.0	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #58	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)CCC1CCC1C2=C(O[Si](C)(C)C(C)(C)C)CC2(C)C1CCC2(O)C(CO)O[Si](C)(C)C(C)(C)C	4872.6	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #59	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)CCC1CCC1C2C(O[Si](C)(C)C(C)(C)C)=CC2(C)C1CCC2(O)C(CO)O[Si](C)(C)C(C)(C)C	4894.5	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #6	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)CCC1CCC1C2=C(O[Si](C)(C)C(C)(C)C)CC2(C)C1CCC2(O)C(O)CO	4872.9	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #60	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)CCC1CCC1C2=C(O[Si](C)(C)C(C)(C)C)CC2(C)C1CCC2(O)C(O)CO[Si](C)(C)C(C)(C)C	4857.1	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #61	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)CCC1CCC1C2C(O[Si](C)(C)C(C)(C)C)=CC2(C)C1CCC2(O)C(O)CO[Si](C)(C)C(C)(C)C	4886.9	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #62	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C	4965.1	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #63	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C	4977.5	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #64	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2=C(O[Si](C)(C)C(C)(C)C)CC2(C)C1CCC2(O[Si](C)(C)C(C)(C)C)C(O)CO	4825.8	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #65	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2C(O[Si](C)(C)C(C)(C)C)=CC2(C)C1CCC2(O[Si](C)(C)C(C)(C)C)C(O)CO	4844.4	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #66	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4996.7	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #67	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2=C(O[Si](C)(C)C(C)(C)C)CC2(C)C1CCC2(O)C(CO)O[Si](C)(C)C(C)(C)C	4861.1	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #68	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2C(O[Si](C)(C)C(C)(C)C)=CC2(C)C1CCC2(O)C(CO)O[Si](C)(C)C(C)(C)C	4883.9	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #69	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2=C(O[Si](C)(C)C(C)(C)C)CC2(C)C1CCC2(O)C(O)CO[Si](C)(C)C(C)(C)C	4846.7	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #7	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)CCC1CCC1C2C(O[Si](C)(C)C(C)(C)C)=CC2(C)C1CCC2(O)C(O)CO	4897.5	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #70	CC12CC(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2C(O[Si](C)(C)C(C)(C)C)=CC2(C)C1CCC2(O)C(O)CO[Si](C)(C)C(C)(C)C	4874.9	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #71	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4998.4	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #72	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2=C(O[Si](C)(C)C(C)(C)C)CC2(C)C1CCC2(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C	4845.5	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #73	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2C(O[Si](C)(C)C(C)(C)C)=CC2(C)C1CCC2(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C	4856.2	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #74	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2=C(O[Si](C)(C)C(C)(C)C)CC2(C)C1CCC2(O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C	4856.0	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #75	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2C(O[Si](C)(C)C(C)(C)C)=CC2(C)C1CCC2(O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C	4876.1	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #76	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2=C(O[Si](C)(C)C(C)(C)C)CC2(C)C1CCC2(O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4862.1	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #77	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)CCC1CCC1C2C(O[Si](C)(C)C(C)(C)C)=CC2(C)C1CCC2(O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4896.6	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #8	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(O)CO	5031.3	Semi standard non polar	33892256
Cortolone-3-glucuronide,3TBDMS,isomer #9	CC12CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)CCC1CCC1C2C(=O)CC2(C)C1CCC2(O[Si](C)(C)C(C)(C)C)C(O)CO	4953.4	Semi standard non polar	33892256

Spectra

Biological Properties

Cellular Locations

Cytoplasm
Extracellular
Membrane

Biospecimen Locations

Blood
Urine

Tissue Locations

Kidney
Liver

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Expected but not Quantified	Not Quantified	Not Available	Not Available	Normal	Not Available	details
Urine	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	22624806	details
Urine	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Not Available	22624806	details

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

FDB027472

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

53480447

PDB ID

Not Available

ChEBI ID

88773

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Hosoda H, Yokohama H, Nambara T. Chem Pharm Bull (Tokyo) 1984;32(10):4023-8.

Material Safety Data Sheet (MSDS)

Not Available

General References

Hosoda H, Yokohama H, Nambara T: Synthesis of cortol 3-glucuronides and cortolone 3-glucuronides. Chem Pharm Bull (Tokyo). 1984 Oct;32(10):4023-8. [PubMed:6549383 ]

Only showing the first 10 proteins. There are 18 proteins in total.

Show all enzymes and transporters

Enzymes

Enzyme Details

1. UDP-glucuronosyltransferase 2B28

General function:: Involved in transferase activity, transferring hexosyl groups
Specific function:: UDPGTs are of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isozyme has glucuronidating capacity with steroid substrates such as 5-beta-androstane 3-alpha,17-beta-diol, estradiol, ADT, eugenol and bile acids. Only isoform 1 seems to be active.
Gene Name:: UGT2B28
Uniprot ID:: Q9BY64
Molecular weight:: 38742.9

Enzyme Details

2. UDP-glucuronosyltransferase 2B4

General function:: Involved in transferase activity, transferring hexosyl groups
Specific function:: UDPGTs are of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isozyme is active on polyhydroxylated estrogens (such as estriol, 4-hydroxyestrone and 2-hydroxyestriol) and xenobiotics (such as 4-methylumbelliferone, 1-naphthol, 4-nitrophenol, 2-aminophenol, 4-hydroxybiphenyl and menthol). It is capable of 6 alpha-hydroxyglucuronidation of hyodeoxycholic acid.
Gene Name:: UGT2B4
Uniprot ID:: P06133
Molecular weight:: 60512.035

Enzyme Details

3. UDP-glucuronosyltransferase 1-4

General function:: Involved in transferase activity, transferring hexosyl groups
Specific function:: UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isoform glucuronidates bilirubin IX-alpha to form both the IX-alpha-C8 and IX-alpha-C12 monoconjugates and diconjugate.
Gene Name:: UGT1A4
Uniprot ID:: P22310
Molecular weight:: 60024.535

Enzyme Details

4. UDP-glucuronosyltransferase 2B7

General function:: Involved in transferase activity, transferring hexosyl groups
Specific function:: UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. Its unique specificity for 3,4-catechol estrogens and estriol suggests it may play an important role in regulating the level and activity of these potent and active estrogen metabolites. Is also active with androsterone, hyodeoxycholic acid and tetrachlorocatechol (in vitro).
Gene Name:: UGT2B7
Uniprot ID:: P16662
Molecular weight:: 60720.15

Enzyme Details

5. UDP-glucuronosyltransferase 2B15

General function:: Involved in transferase activity, transferring hexosyl groups
Specific function:: UDPGTs are of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isozyme displays activity toward several classes of xenobiotic substrates, including simple phenolic compounds, 7-hydroxylated coumarins, flavonoids, anthraquinones, and certain drugs and their hydroxylated metabolites. It also catalyzes the glucuronidation of endogenous estrogens and androgens.
Gene Name:: UGT2B15
Uniprot ID:: P54855
Molecular weight:: 61035.815

Enzyme Details

6. UDP-glucuronosyltransferase 2A1

General function:: Involved in transferase activity, transferring hexosyl groups
Specific function:: UDP-glucuronosyltransferases catalyze phase II biotransformation reactions in which lipophilic substrates are conjugated with glucuronic acid to increase water solubility and enhance excretion. They are of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. Active on odorants and seems to be involved in olfaction; it could help clear lipophilic odorant molecules from the sensory epithelium.
Gene Name:: UGT2A1
Uniprot ID:: Q9Y4X1
Molecular weight:: 60771.605

Enzyme Details

7. UDP-glucuronosyltransferase 1-1

General function:: Involved in transferase activity, transferring hexosyl groups
Specific function:: UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isoform glucuronidates bilirubin IX-alpha to form both the IX-alpha-C8 and IX-alpha-C12 monoconjugates and diconjugate. Is also able to catalyze the glucuronidation of 17beta-estradiol, 17alpha-ethinylestradiol, 1-hydroxypyrene, 4-methylumbelliferone, 1-naphthol, paranitrophenol, scopoletin, and umbelliferone.
Gene Name:: UGT1A1
Uniprot ID:: P22309
Molecular weight:: 59590.91

Enzyme Details

8. UDP-glucuronosyltransferase 1-9

General function:: Involved in transferase activity, transferring hexosyl groups
Specific function:: UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isoform has specificity for phenols.
Gene Name:: UGT1A9
Uniprot ID:: O60656
Molecular weight:: 59940.495

Enzyme Details

9. UDP-glucuronosyltransferase 1-3

General function:: Involved in transferase activity, transferring hexosyl groups
Specific function:: UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds.
Gene Name:: UGT1A3
Uniprot ID:: P35503
Molecular weight:: 60337.835

Enzyme Details

10. UDP-glucuronosyltransferase 2B17

General function:: Involved in transferase activity, transferring hexosyl groups
Specific function:: UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. The major substrates of this isozyme are eugenol > 4-methylumbelliferone > dihydrotestosterone (DHT) > androstane-3-alpha,17-beta-diol (3-alpha-diol) > testosterone > androsterone (ADT).
Gene Name:: UGT2B17
Uniprot ID:: O75795
Molecular weight:: 61094.915

Only showing the first 10 proteins. There are 18 proteins in total.

Show all enzymes and transporters

Showing metabocard for Cortolone-3-glucuronide (HMDB0010320)

MOL for HMDB0010320 (Cortolone-3-glucuronide)

3D MOL for HMDB0010320 (Cortolone-3-glucuronide)

3D SDF for HMDB0010320 (Cortolone-3-glucuronide)

3D-SDF for HMDB0010320 (Cortolone-3-glucuronide)

PDB for HMDB0010320 (Cortolone-3-glucuronide)

3D PDB for HMDB0010320 (Cortolone-3-glucuronide)

SMILES for HMDB0010320 (Cortolone-3-glucuronide)

INCHI for HMDB0010320 (Cortolone-3-glucuronide)

Structure for HMDB0010320 (Cortolone-3-glucuronide)

3D Structure for HMDB0010320 (Cortolone-3-glucuronide)

Predicted Collision Cross Sections

Predicted Retention Times

Underivatized

Predicted Kovats Retention Indices

Underivatized

Derivatized

Enzymes