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Showing metabocard for 18-Hydroxy-11-dehydrotetrahydrocorticosterone (HMDB0013157)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2009-11-30 15:50:08 UTC
Update Date2022-03-07 02:51:28 UTC
HMDB IDHMDB0013157
Secondary Accession Numbers
  • HMDB13157
Metabolite Identification
Common Name18-Hydroxy-11-dehydrotetrahydrocorticosterone
Description18-Hydroxy-11-dehydrotetrahydrocorticosterone, also known as 3-hydroxy-9(Z)-octadecenoylcarnitine, belongs to the class of organic compounds known as 21-hydroxysteroids. These are steroids carrying a hydroxyl group at the 21-position of the steroid backbone. 18-Hydroxy-11-dehydrotetrahydrocorticosterone is an extremely weak basic (essentially neutral) compound (based on its pKa).
Structure
Data?1582753098
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0013157 (18-Hydroxy-11-dehydrotetrahydrocorticosterone)


  Mrv0541 02251208172D          

 26 29  0  0  1  0            999 V2000
   12.8960  -13.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9074  -13.8937    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1871  -13.4914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4789  -13.9136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4905  -14.7391    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.2101  -15.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9189  -14.7193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6392  -15.1215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3481  -14.6994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3365  -13.8738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6162  -13.4716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6048  -12.6466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8845  -12.2438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3136  -12.2239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0340  -12.6267    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.0454  -13.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8331  -13.6960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3087  -13.0212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8145  -12.3606    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.9744  -11.5513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7552  -11.2851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3534  -11.0081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5133  -10.1988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1668  -11.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5282  -11.2904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7820  -15.1614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 26  1  6  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 19  1  0  0  0  0
 15 24  1  1  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  1  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
Download

3D MOL for HMDB0013157 (18-Hydroxy-11-dehydrotetrahydrocorticosterone)

HMDB0013157
     RDKit          3D
18-Hydroxy-11-dehydrotetrahydrocorticosterone
 58 61  0  0  0  0  0  0  0  0999 V2000
    2.8164   -1.4392    1.1661 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1840   -0.5985    0.0840 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0536   -0.9255   -1.1546 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4829   -0.6228   -0.9281 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8596    0.5216   -0.0885 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2062    1.6405   -0.8642 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8508    0.9611    0.9377 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5188    0.8849    0.2739 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3872    1.5139    0.9871 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3150    1.6535   -0.1108 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    0.3332   -0.7266 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7583   -0.8439   -0.1635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0488   -1.4323    0.9193 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230   -1.9497    1.8572 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4956   -1.4731    1.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2054   -0.2528    0.3998 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3816    0.7096    1.5187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1640    0.1159    2.5261 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4715    0.1472   -0.7864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7263   -1.0396   -1.7360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1962   -1.3135   -1.4968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5153   -0.7642   -0.1065 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.6093    0.1644   -0.2488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6075   -0.0567    0.4262 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7037    1.3644   -1.1043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9289    2.0227   -0.9771 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5676   -2.4997    0.9605 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9284   -1.4339    1.0718 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6239   -1.0930    2.1911 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6409   -0.3251   -1.9868 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9553   -2.0172   -1.3805 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9256   -0.4333   -1.9579 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0516   -1.5499   -0.6128 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7981    0.2722    0.4845 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6250    1.5614   -1.6864 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0501    2.0420    1.1570 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9322    0.4423    1.8953 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6416    1.4050   -0.7083 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9619    0.8473    1.7636 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5908    2.5211    1.3959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5570    2.2310    0.2363 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8171    2.3619   -0.8438 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3348    0.3991   -1.8105 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7379   -1.6376   -0.9800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8757   -2.4211    0.5214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8008   -1.5706    2.0684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333    1.6668    1.3136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3992    0.8968    2.0227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6284   -0.6875    2.2629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8789    1.0235   -1.3458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2018   -1.9550   -1.3994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5028   -0.7704   -2.7769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7735   -0.8006   -2.2882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4185   -2.3909   -1.5942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8241   -1.6445    0.4855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9412    2.0897   -0.7524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6134    1.1468   -2.1854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8400    3.0025   -1.1036 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  1
 17 18  1  0
 16 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  0
  8  2  1  0
 19 11  1  0
 12  2  1  0
 22 16  1  0
  1 27  1  0
  1 28  1  0
  1 29  1  0
  3 30  1  0
  3 31  1  0
  4 32  1  0
  4 33  1  0
  5 34  1  1
  6 35  1  0
  7 36  1  0
  7 37  1  0
  8 38  1  0
  9 39  1  0
  9 40  1  0
 10 41  1  0
 10 42  1  0
 11 43  1  0
 12 44  1  0
 15 45  1  0
 15 46  1  0
 17 47  1  0
 17 48  1  0
 18 49  1  0
 19 50  1  0
 20 51  1  0
 20 52  1  0
 21 53  1  0
 21 54  1  0
 22 55  1  1
 25 56  1  0
 25 57  1  0
 26 58  1  0
M  END
Download

3D SDF for HMDB0013157 (18-Hydroxy-11-dehydrotetrahydrocorticosterone)


  Mrv0541 02251208172D          

 26 29  0  0  1  0            999 V2000
   12.8960  -13.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9074  -13.8937    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1871  -13.4914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4789  -13.9136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4905  -14.7391    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.2101  -15.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9189  -14.7193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6392  -15.1215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3481  -14.6994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3365  -13.8738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6162  -13.4716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6048  -12.6466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8845  -12.2438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3136  -12.2239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0340  -12.6267    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.0454  -13.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8331  -13.6960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3087  -13.0212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8145  -12.3606    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.9744  -11.5513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7552  -11.2851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3534  -11.0081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5133  -10.1988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1668  -11.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5282  -11.2904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7820  -15.1614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 26  1  6  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 19  1  0  0  0  0
 15 24  1  1  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  1  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0013157

> <DATABASE_NAME>
hmdb

> <SMILES>
C[C@]12CC[C@@H](O)CC1CCC1C3CC[C@H](C(=O)CO)[C@@]3(CO)CC(=O)C21

> <INCHI_IDENTIFIER>
InChI=1S/C21H32O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h12-16,19,22-24H,2-11H2,1H3/t12?,13-,14?,15?,16-,19?,20+,21-/m1/s1

> <INCHI_KEY>
UQRPWWKJWZFNAE-HATFOLNYSA-N

> <FORMULA>
C21H32O5

> <MOLECULAR_WEIGHT>
364.4758

> <EXACT_MASS>
364.224974134

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
40.3771177937666

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2S,5R,14S,15R)-5-hydroxy-14-(2-hydroxyacetyl)-15-(hydroxymethyl)-2-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-17-one

> <ALOGPS_LOGP>
1.66

> <JCHEM_LOGP>
0.9656681880000002

> <ALOGPS_LOGS>
-3.25

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
15.080406489435422

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.836275522771423

> <JCHEM_PKA_STRONGEST_BASIC>
-1.3569619583776276

> <JCHEM_POLAR_SURFACE_AREA>
94.83000000000001

> <JCHEM_REFRACTIVITY>
97.05089999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.04e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S,5R,14S,15R)-5-hydroxy-14-(2-hydroxyacetyl)-15-(hydroxymethyl)-2-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-17-one

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0013157 (18-Hydroxy-11-dehydrotetrahydrocorticosterone)

HMDB0013157
     RDKit          3D
18-Hydroxy-11-dehydrotetrahydrocorticosterone
 58 61  0  0  0  0  0  0  0  0999 V2000
    2.8164   -1.4392    1.1661 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1840   -0.5985    0.0840 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0536   -0.9255   -1.1546 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4829   -0.6228   -0.9281 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8596    0.5216   -0.0885 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2062    1.6405   -0.8642 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8508    0.9611    0.9377 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5188    0.8849    0.2739 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3872    1.5139    0.9871 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3150    1.6535   -0.1108 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    0.3332   -0.7266 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7583   -0.8439   -0.1635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0488   -1.4323    0.9193 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230   -1.9497    1.8572 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4956   -1.4731    1.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2054   -0.2528    0.3998 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3816    0.7096    1.5187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1640    0.1159    2.5261 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4715    0.1472   -0.7864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7263   -1.0396   -1.7360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1962   -1.3135   -1.4968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5153   -0.7642   -0.1065 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.6093    0.1644   -0.2488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6075   -0.0567    0.4262 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7037    1.3644   -1.1043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9289    2.0227   -0.9771 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5676   -2.4997    0.9605 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9284   -1.4339    1.0718 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6239   -1.0930    2.1911 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6409   -0.3251   -1.9868 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9553   -2.0172   -1.3805 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9256   -0.4333   -1.9579 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0516   -1.5499   -0.6128 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7981    0.2722    0.4845 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6250    1.5614   -1.6864 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0501    2.0420    1.1570 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9322    0.4423    1.8953 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6416    1.4050   -0.7083 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9619    0.8473    1.7636 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5908    2.5211    1.3959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5570    2.2310    0.2363 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8171    2.3619   -0.8438 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3348    0.3991   -1.8105 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7379   -1.6376   -0.9800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8757   -2.4211    0.5214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8008   -1.5706    2.0684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333    1.6668    1.3136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3992    0.8968    2.0227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6284   -0.6875    2.2629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8789    1.0235   -1.3458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2018   -1.9550   -1.3994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5028   -0.7704   -2.7769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7735   -0.8006   -2.2882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4185   -2.3909   -1.5942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8241   -1.6445    0.4855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9412    2.0897   -0.7524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6134    1.1468   -2.1854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8400    3.0025   -1.1036 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  1
 17 18  1  0
 16 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  0
  8  2  1  0
 19 11  1  0
 12  2  1  0
 22 16  1  0
  1 27  1  0
  1 28  1  0
  1 29  1  0
  3 30  1  0
  3 31  1  0
  4 32  1  0
  4 33  1  0
  5 34  1  1
  6 35  1  0
  7 36  1  0
  7 37  1  0
  8 38  1  0
  9 39  1  0
  9 40  1  0
 10 41  1  0
 10 42  1  0
 11 43  1  0
 12 44  1  0
 15 45  1  0
 15 46  1  0
 17 47  1  0
 17 48  1  0
 18 49  1  0
 19 50  1  0
 20 51  1  0
 20 52  1  0
 21 53  1  0
 21 54  1  0
 22 55  1  1
 25 56  1  0
 25 57  1  0
 26 58  1  0
M  END
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PDB for HMDB0013157 (18-Hydroxy-11-dehydrotetrahydrocorticosterone)

HEADER    PROTEIN                                 25-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   25-FEB-12         0                                  
HETATM    1  C   UNK     0      24.073 -24.395   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      24.094 -25.935   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      22.749 -25.184   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      21.427 -25.972   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      21.449 -27.513   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      22.792 -28.264   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      24.115 -27.476   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      25.460 -28.227   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      26.783 -27.439   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      26.761 -25.898   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      25.417 -25.147   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      25.396 -23.607   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      24.051 -22.855   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      26.719 -22.818   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      28.063 -23.570   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      28.085 -25.110   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      29.555 -25.566   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      30.443 -24.306   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      29.520 -23.073   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      29.819 -21.562   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      31.276 -21.066   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      28.660 -20.548   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      28.958 -19.038   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      28.311 -22.050   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      27.119 -21.075   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      20.126 -28.301   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    7   11                                             
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   26                                                  
CONECT    6    5    7                                                       
CONECT    7    2    6    8                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   16                                                  
CONECT   11    2   10   12                                                  
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15                                                       
CONECT   15   14   16   19   24                                             
CONECT   16   10   15   17                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   15   18   20                                                  
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23                                                       
CONECT   23   22                                                            
CONECT   24   15   25                                                       
CONECT   25   24                                                            
CONECT   26    5                                                            
MASTER        0    0    0    0    0    0    0    0   26    0   58    0
END
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3D PDB for HMDB0013157 (18-Hydroxy-11-dehydrotetrahydrocorticosterone)

COMPND    HMDB0013157
HETATM    1  C1  UNL     1       2.816  -1.439   1.166  1.00  0.00           C  
HETATM    2  C2  UNL     1       2.184  -0.598   0.084  1.00  0.00           C  
HETATM    3  C3  UNL     1       3.054  -0.925  -1.155  1.00  0.00           C  
HETATM    4  C4  UNL     1       4.483  -0.623  -0.928  1.00  0.00           C  
HETATM    5  C5  UNL     1       4.860   0.522  -0.088  1.00  0.00           C  
HETATM    6  O1  UNL     1       5.206   1.640  -0.864  1.00  0.00           O  
HETATM    7  C6  UNL     1       3.851   0.961   0.938  1.00  0.00           C  
HETATM    8  C7  UNL     1       2.519   0.885   0.274  1.00  0.00           C  
HETATM    9  C8  UNL     1       1.387   1.514   0.987  1.00  0.00           C  
HETATM   10  C9  UNL     1       0.315   1.654  -0.111  1.00  0.00           C  
HETATM   11  C10 UNL     1       0.004   0.333  -0.727  1.00  0.00           C  
HETATM   12  C11 UNL     1       0.758  -0.844  -0.164  1.00  0.00           C  
HETATM   13  C12 UNL     1      -0.049  -1.432   0.919  1.00  0.00           C  
HETATM   14  O2  UNL     1       0.523  -1.950   1.857  1.00  0.00           O  
HETATM   15  C13 UNL     1      -1.496  -1.473   1.008  1.00  0.00           C  
HETATM   16  C14 UNL     1      -2.205  -0.253   0.400  1.00  0.00           C  
HETATM   17  C15 UNL     1      -2.382   0.710   1.519  1.00  0.00           C  
HETATM   18  O3  UNL     1      -3.164   0.116   2.526  1.00  0.00           O  
HETATM   19  C16 UNL     1      -1.471   0.147  -0.786  1.00  0.00           C  
HETATM   20  C17 UNL     1      -1.726  -1.040  -1.736  1.00  0.00           C  
HETATM   21  C18 UNL     1      -3.196  -1.313  -1.497  1.00  0.00           C  
HETATM   22  C19 UNL     1      -3.515  -0.764  -0.107  1.00  0.00           C  
HETATM   23  C20 UNL     1      -4.609   0.164  -0.249  1.00  0.00           C  
HETATM   24  O4  UNL     1      -5.607  -0.057   0.426  1.00  0.00           O  
HETATM   25  C21 UNL     1      -4.704   1.364  -1.104  1.00  0.00           C  
HETATM   26  O5  UNL     1      -5.929   2.023  -0.977  1.00  0.00           O  
HETATM   27  H1  UNL     1       2.568  -2.500   0.961  1.00  0.00           H  
HETATM   28  H2  UNL     1       3.928  -1.434   1.072  1.00  0.00           H  
HETATM   29  H3  UNL     1       2.624  -1.093   2.191  1.00  0.00           H  
HETATM   30  H4  UNL     1       2.641  -0.325  -1.987  1.00  0.00           H  
HETATM   31  H5  UNL     1       2.955  -2.017  -1.381  1.00  0.00           H  
HETATM   32  H6  UNL     1       4.926  -0.433  -1.958  1.00  0.00           H  
HETATM   33  H7  UNL     1       5.052  -1.550  -0.613  1.00  0.00           H  
HETATM   34  H8  UNL     1       5.798   0.272   0.485  1.00  0.00           H  
HETATM   35  H9  UNL     1       4.625   1.561  -1.686  1.00  0.00           H  
HETATM   36  H10 UNL     1       4.050   2.042   1.157  1.00  0.00           H  
HETATM   37  H11 UNL     1       3.932   0.442   1.895  1.00  0.00           H  
HETATM   38  H12 UNL     1       2.642   1.405  -0.708  1.00  0.00           H  
HETATM   39  H13 UNL     1       0.962   0.847   1.764  1.00  0.00           H  
HETATM   40  H14 UNL     1       1.591   2.521   1.396  1.00  0.00           H  
HETATM   41  H15 UNL     1      -0.557   2.231   0.236  1.00  0.00           H  
HETATM   42  H16 UNL     1       0.817   2.362  -0.844  1.00  0.00           H  
HETATM   43  H17 UNL     1       0.335   0.399  -1.811  1.00  0.00           H  
HETATM   44  H18 UNL     1       0.738  -1.638  -0.980  1.00  0.00           H  
HETATM   45  H19 UNL     1      -1.876  -2.421   0.521  1.00  0.00           H  
HETATM   46  H20 UNL     1      -1.801  -1.571   2.068  1.00  0.00           H  
HETATM   47  H21 UNL     1      -2.833   1.667   1.314  1.00  0.00           H  
HETATM   48  H22 UNL     1      -1.399   0.897   2.023  1.00  0.00           H  
HETATM   49  H23 UNL     1      -3.628  -0.687   2.263  1.00  0.00           H  
HETATM   50  H24 UNL     1      -1.879   1.024  -1.346  1.00  0.00           H  
HETATM   51  H25 UNL     1      -1.202  -1.955  -1.399  1.00  0.00           H  
HETATM   52  H26 UNL     1      -1.503  -0.770  -2.777  1.00  0.00           H  
HETATM   53  H27 UNL     1      -3.773  -0.801  -2.288  1.00  0.00           H  
HETATM   54  H28 UNL     1      -3.419  -2.391  -1.594  1.00  0.00           H  
HETATM   55  H29 UNL     1      -3.824  -1.644   0.485  1.00  0.00           H  
HETATM   56  H30 UNL     1      -3.941   2.090  -0.752  1.00  0.00           H  
HETATM   57  H31 UNL     1      -4.613   1.147  -2.185  1.00  0.00           H  
HETATM   58  H32 UNL     1      -5.840   3.002  -1.104  1.00  0.00           H  
CONECT    1    2   27   28   29
CONECT    2    3    8   12
CONECT    3    4   30   31
CONECT    4    5   32   33
CONECT    5    6    7   34
CONECT    6   35
CONECT    7    8   36   37
CONECT    8    9   38
CONECT    9   10   39   40
CONECT   10   11   41   42
CONECT   11   12   19   43
CONECT   12   13   44
CONECT   13   14   14   15
CONECT   15   16   45   46
CONECT   16   17   19   22
CONECT   17   18   47   48
CONECT   18   49
CONECT   19   20   50
CONECT   20   21   51   52
CONECT   21   22   53   54
CONECT   22   23   55
CONECT   23   24   24   25
CONECT   25   26   56   57
CONECT   26   58
END
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SMILES for HMDB0013157 (18-Hydroxy-11-dehydrotetrahydrocorticosterone)

C[C@]12CC[C@@H](O)CC1CCC1C3CC[C@H](C(=O)CO)[C@@]3(CO)CC(=O)C21
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INCHI for HMDB0013157 (18-Hydroxy-11-dehydrotetrahydrocorticosterone)

InChI=1S/C21H32O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h12-16,19,22-24H,2-11H2,1H3/t12?,13-,14?,15?,16-,19?,20+,21-/m1/s1
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View in JSmolView Stereo Labels
Synonyms
ValueSource
18-Hydroxy-11-dehydrotetrahydrocorticosteroneMeSH
18-Hydroxytetrahydro-11-dehydrocorticosteroneMeSH
HTDHCMeSH
Chemical FormulaC21H32O5
Average Molecular Weight364.4758
Monoisotopic Molecular Weight364.224974134
IUPAC Name(2S,5R,14S,15R)-5-hydroxy-14-(2-hydroxyacetyl)-15-(hydroxymethyl)-2-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-17-one
Traditional Name(2S,5R,14S,15R)-5-hydroxy-14-(2-hydroxyacetyl)-15-(hydroxymethyl)-2-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-17-one
CAS Registry NumberNot Available
SMILES
C[C@]12CC[C@@H](O)CC1CCC1C3CC[C@H](C(=O)CO)[C@@]3(CO)CC(=O)C21
InChI Identifier
InChI=1S/C21H32O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h12-16,19,22-24H,2-11H2,1H3/t12?,13-,14?,15?,16-,19?,20+,21-/m1/s1
InChI KeyUQRPWWKJWZFNAE-HATFOLNYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as 21-hydroxysteroids. These are steroids carrying a hydroxyl group at the 21-position of the steroid backbone.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassSteroids and steroid derivatives
Sub ClassHydroxysteroids
Direct Parent21-hydroxysteroids
Alternative Parents
Substituents
  • Progestogin-skeleton
  • 21-hydroxysteroid
  • 20-oxosteroid
  • Pregnane-skeleton
  • 18-hydroxysteroid
  • 3-hydroxysteroid
  • 11-oxosteroid
  • Oxosteroid
  • 3-alpha-hydroxysteroid
  • Cyclic alcohol
  • Alpha-hydroxy ketone
  • Ketone
  • Secondary alcohol
  • Alcohol
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organic oxide
  • Organic oxygen compound
  • Carbonyl group
  • Primary alcohol
  • Aliphatic homopolycyclic compound
Molecular FrameworkAliphatic homopolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationRoute of exposureSource
Process
Naturally occurring process
Role
Biological roleIndustrial application
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.2 g/LALOGPS
logP1.66ALOGPS
logP0.97ChemAxon
logS-3.2ALOGPS
pKa (Strongest Acidic)13.84ChemAxon
pKa (Strongest Basic)-1.4ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area94.83 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity97.05 m³·mol⁻¹ChemAxon
Polarizability40.38 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+184.18431661259
DarkChem[M-H]-184.24231661259
DeepCCS[M-2H]-220.93830932474
DeepCCS[M+Na]+196.68730932474
AllCCS[M+H]+189.432859911
AllCCS[M+H-H2O]+186.932859911
AllCCS[M+NH4]+191.732859911
AllCCS[M+Na]+192.432859911
AllCCS[M-H]-192.832859911
AllCCS[M+Na-2H]-193.232859911
AllCCS[M+HCOO]-193.832859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
18-Hydroxy-11-dehydrotetrahydrocorticosteroneC[C@]12CC[C@@H](O)CC1CCC1C3CC[C@H](C(=O)CO)[C@@]3(CO)CC(=O)C212353.4Standard polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosteroneC[C@]12CC[C@@H](O)CC1CCC1C3CC[C@H](C(=O)CO)[C@@]3(CO)CC(=O)C213122.0Standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosteroneC[C@]12CC[C@@H](O)CC1CCC1C3CC[C@H](C(=O)CO)[C@@]3(CO)CC(=O)C213388.2Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
18-Hydroxy-11-dehydrotetrahydrocorticosterone,1TMS,isomer #1C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C2C(=O)C[C@@]2(CO)C1CC[C@@H]2C(=O)CO3417.8Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,1TMS,isomer #2C[C@]12CC[C@@H](O)CC1CCC1C2C(=O)C[C@@]2(CO)C1CC[C@@H]2C(=O)CO[Si](C)(C)C3412.7Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,1TMS,isomer #3C[C@]12CC[C@@H](O)CC1CCC1C2C(=O)C[C@@]2(CO[Si](C)(C)C)C1CC[C@@H]2C(=O)CO3359.9Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,1TMS,isomer #4C[C@]12CC[C@@H](O)CC1CCC1C2C(=O)C[C@]2(CO)C(=C(CO)O[Si](C)(C)C)CCC123370.4Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,1TMS,isomer #5C[C@]12CC[C@@H](O)CC1CCC1C2=C(O[Si](C)(C)C)C[C@@]2(CO)C1CC[C@@H]2C(=O)CO3335.9Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,1TMS,isomer #6C[C@]12CC[C@@H](O)CC1CCC1C2C(=O)C[C@@]2(CO)C1CC[C@@H]2C(=CO)O[Si](C)(C)C3347.5Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,1TMS,isomer #7C[C@]12CC[C@@H](O)CC1CCC1C2C(O[Si](C)(C)C)=C[C@@]2(CO)C1CC[C@@H]2C(=O)CO3332.1Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,2TMS,isomer #1C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C2C(=O)C[C@@]2(CO[Si](C)(C)C)C1CC[C@@H]2C(=O)CO3316.3Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,2TMS,isomer #10C[C@]12CC[C@@H](O)CC1CCC1C2C(O[Si](C)(C)C)=C[C@@]2(CO)C1CC[C@@H]2C(=O)CO[Si](C)(C)C3283.3Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,2TMS,isomer #11C[C@]12CC[C@@H](O)CC1CCC1C2C(=O)C[C@@]2(CO)C1CC[C@@H]2C(=CO[Si](C)(C)C)O[Si](C)(C)C3346.4Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,2TMS,isomer #12C[C@]12CC[C@@H](O)CC1CCC1C2=C(O[Si](C)(C)C)C[C@@]2(CO[Si](C)(C)C)C1CC[C@@H]2C(=O)CO3273.9Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,2TMS,isomer #13C[C@]12CC[C@@H](O)CC1CCC1C2C(=O)C[C@]2(CO[Si](C)(C)C)C(=C(CO)O[Si](C)(C)C)CCC123320.1Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,2TMS,isomer #14C[C@]12CC[C@@H](O)CC1CCC1C2C(O[Si](C)(C)C)=C[C@@]2(CO[Si](C)(C)C)C1CC[C@@H]2C(=O)CO3255.9Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,2TMS,isomer #15C[C@]12CC[C@@H](O)CC1CCC1C2C(=O)C[C@@]2(CO[Si](C)(C)C)C1CC[C@@H]2C(=CO)O[Si](C)(C)C3274.0Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,2TMS,isomer #16C[C@]12CC[C@@H](O)CC1CCC1C2=C(O[Si](C)(C)C)C[C@]2(CO)C(=C(CO)O[Si](C)(C)C)CCC123277.4Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,2TMS,isomer #17C[C@]12CC[C@@H](O)CC1CCC1C3CCC(=C(CO)O[Si](C)(C)C)[C@@]3(CO)C=C(O[Si](C)(C)C)C123247.1Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,2TMS,isomer #18C[C@]12CC[C@@H](O)CC1CCC1C2=C(O[Si](C)(C)C)C[C@@]2(CO)C1CC[C@@H]2C(=CO)O[Si](C)(C)C3234.2Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,2TMS,isomer #19C[C@]12CC[C@@H](O)CC1CCC1C2C(O[Si](C)(C)C)=C[C@@]2(CO)C1CC[C@@H]2C(=CO)O[Si](C)(C)C3230.4Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,2TMS,isomer #2C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C2C(=O)C[C@@]2(CO)C1CC[C@@H]2C(=O)CO[Si](C)(C)C3384.2Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,2TMS,isomer #3C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C2=C(O[Si](C)(C)C)C[C@@]2(CO)C1CC[C@@H]2C(=O)CO3328.8Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,2TMS,isomer #4C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C2C(=O)C[C@]2(CO)C(=C(CO)O[Si](C)(C)C)CCC123352.9Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,2TMS,isomer #5C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C2C(O[Si](C)(C)C)=C[C@@]2(CO)C1CC[C@@H]2C(=O)CO3283.6Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,2TMS,isomer #6C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C2C(=O)C[C@@]2(CO)C1CC[C@@H]2C(=CO)O[Si](C)(C)C3322.0Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,2TMS,isomer #7C[C@]12CC[C@@H](O)CC1CCC1C2C(=O)C[C@@]2(CO[Si](C)(C)C)C1CC[C@@H]2C(=O)CO[Si](C)(C)C3346.0Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,2TMS,isomer #8C[C@]12CC[C@@H](O)CC1CCC1C2=C(O[Si](C)(C)C)C[C@@]2(CO)C1CC[C@@H]2C(=O)CO[Si](C)(C)C3322.2Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,2TMS,isomer #9C[C@]12CC[C@@H](O)CC1CCC1C2C(=O)C[C@]2(CO)C(=C(CO[Si](C)(C)C)O[Si](C)(C)C)CCC123363.7Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,3TMS,isomer #1C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C2C(=O)C[C@@]2(CO[Si](C)(C)C)C1CC[C@@H]2C(=O)CO[Si](C)(C)C3309.2Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,3TMS,isomer #10C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C2=C(O[Si](C)(C)C)C[C@]2(CO)C(=C(CO)O[Si](C)(C)C)CCC123249.8Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,3TMS,isomer #11C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C2=C(O[Si](C)(C)C)C[C@@]2(CO)C1CC[C@@H]2C(=CO)O[Si](C)(C)C3188.9Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,3TMS,isomer #12C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C3CCC(=C(CO)O[Si](C)(C)C)[C@@]3(CO)C=C(O[Si](C)(C)C)C123203.0Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,3TMS,isomer #13C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C2C(O[Si](C)(C)C)=C[C@@]2(CO)C1CC[C@@H]2C(=CO)O[Si](C)(C)C3170.0Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,3TMS,isomer #14C[C@]12CC[C@@H](O)CC1CCC1C2=C(O[Si](C)(C)C)C[C@@]2(CO[Si](C)(C)C)C1CC[C@@H]2C(=O)CO[Si](C)(C)C3276.9Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,3TMS,isomer #15C[C@]12CC[C@@H](O)CC1CCC1C2C(=O)C[C@]2(CO[Si](C)(C)C)C(=C(CO[Si](C)(C)C)O[Si](C)(C)C)CCC123307.3Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,3TMS,isomer #16C[C@]12CC[C@@H](O)CC1CCC1C2C(O[Si](C)(C)C)=C[C@@]2(CO[Si](C)(C)C)C1CC[C@@H]2C(=O)CO[Si](C)(C)C3246.3Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,3TMS,isomer #17C[C@]12CC[C@@H](O)CC1CCC1C2C(=O)C[C@@]2(CO[Si](C)(C)C)C1CC[C@@H]2C(=CO[Si](C)(C)C)O[Si](C)(C)C3314.0Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,3TMS,isomer #18C[C@]12CC[C@@H](O)CC1CCC1C2=C(O[Si](C)(C)C)C[C@]2(CO)C(=C(CO[Si](C)(C)C)O[Si](C)(C)C)CCC123261.9Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,3TMS,isomer #19C[C@]12CC[C@@H](O)CC1CCC1C2=C(O[Si](C)(C)C)C[C@@]2(CO)C1CC[C@@H]2C(=CO[Si](C)(C)C)O[Si](C)(C)C3257.4Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,3TMS,isomer #2C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C2=C(O[Si](C)(C)C)C[C@@]2(CO[Si](C)(C)C)C1CC[C@@H]2C(=O)CO3240.0Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,3TMS,isomer #20C[C@]12CC[C@@H](O)CC1CCC1C3CCC(=C(CO[Si](C)(C)C)O[Si](C)(C)C)[C@@]3(CO)C=C(O[Si](C)(C)C)C123216.5Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,3TMS,isomer #21C[C@]12CC[C@@H](O)CC1CCC1C2C(O[Si](C)(C)C)=C[C@@]2(CO)C1CC[C@@H]2C(=CO[Si](C)(C)C)O[Si](C)(C)C3246.7Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,3TMS,isomer #22C[C@]12CC[C@@H](O)CC1CCC1C2=C(O[Si](C)(C)C)C[C@]2(CO[Si](C)(C)C)C(=C(CO)O[Si](C)(C)C)CCC123218.7Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,3TMS,isomer #23C[C@]12CC[C@@H](O)CC1CCC1C2=C(O[Si](C)(C)C)C[C@@]2(CO[Si](C)(C)C)C1CC[C@@H]2C(=CO)O[Si](C)(C)C3151.3Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,3TMS,isomer #24C[C@]12CC[C@@H](O)CC1CCC1C3CCC(=C(CO)O[Si](C)(C)C)[C@@]3(CO[Si](C)(C)C)C=C(O[Si](C)(C)C)C123222.3Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,3TMS,isomer #25C[C@]12CC[C@@H](O)CC1CCC1C2C(O[Si](C)(C)C)=C[C@@]2(CO[Si](C)(C)C)C1CC[C@@H]2C(=CO)O[Si](C)(C)C3158.8Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,3TMS,isomer #3C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C2C(=O)C[C@]2(CO[Si](C)(C)C)C(=C(CO)O[Si](C)(C)C)CCC123291.9Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,3TMS,isomer #4C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C2C(O[Si](C)(C)C)=C[C@@]2(CO[Si](C)(C)C)C1CC[C@@H]2C(=O)CO3196.9Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,3TMS,isomer #5C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C2C(=O)C[C@@]2(CO[Si](C)(C)C)C1CC[C@@H]2C(=CO)O[Si](C)(C)C3236.5Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,3TMS,isomer #6C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C2=C(O[Si](C)(C)C)C[C@@]2(CO)C1CC[C@@H]2C(=O)CO[Si](C)(C)C3282.6Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,3TMS,isomer #7C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C2C(=O)C[C@]2(CO)C(=C(CO[Si](C)(C)C)O[Si](C)(C)C)CCC123312.1Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,3TMS,isomer #8C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C2C(O[Si](C)(C)C)=C[C@@]2(CO)C1CC[C@@H]2C(=O)CO[Si](C)(C)C3227.7Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,3TMS,isomer #9C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C2C(=O)C[C@@]2(CO)C1CC[C@@H]2C(=CO[Si](C)(C)C)O[Si](C)(C)C3336.4Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TMS,isomer #1C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C2=C(O[Si](C)(C)C)C[C@@]2(CO[Si](C)(C)C)C1CC[C@@H]2C(=O)CO[Si](C)(C)C3252.6Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TMS,isomer #1C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C2=C(O[Si](C)(C)C)C[C@@]2(CO[Si](C)(C)C)C1CC[C@@H]2C(=O)CO[Si](C)(C)C3261.1Standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TMS,isomer #1C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C2=C(O[Si](C)(C)C)C[C@@]2(CO[Si](C)(C)C)C1CC[C@@H]2C(=O)CO[Si](C)(C)C3620.1Standard polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TMS,isomer #10C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C2=C(O[Si](C)(C)C)C[C@@]2(CO)C1CC[C@@H]2C(=CO[Si](C)(C)C)O[Si](C)(C)C3227.1Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TMS,isomer #10C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C2=C(O[Si](C)(C)C)C[C@@]2(CO)C1CC[C@@H]2C(=CO[Si](C)(C)C)O[Si](C)(C)C3212.1Standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TMS,isomer #10C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C2=C(O[Si](C)(C)C)C[C@@]2(CO)C1CC[C@@H]2C(=CO[Si](C)(C)C)O[Si](C)(C)C3772.0Standard polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TMS,isomer #11C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C3CCC(=C(CO[Si](C)(C)C)O[Si](C)(C)C)[C@@]3(CO)C=C(O[Si](C)(C)C)C123155.9Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TMS,isomer #11C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C3CCC(=C(CO[Si](C)(C)C)O[Si](C)(C)C)[C@@]3(CO)C=C(O[Si](C)(C)C)C123227.6Standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TMS,isomer #11C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C3CCC(=C(CO[Si](C)(C)C)O[Si](C)(C)C)[C@@]3(CO)C=C(O[Si](C)(C)C)C123852.9Standard polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TMS,isomer #12C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C2C(O[Si](C)(C)C)=C[C@@]2(CO)C1CC[C@@H]2C(=CO[Si](C)(C)C)O[Si](C)(C)C3206.5Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TMS,isomer #12C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C2C(O[Si](C)(C)C)=C[C@@]2(CO)C1CC[C@@H]2C(=CO[Si](C)(C)C)O[Si](C)(C)C3132.8Standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TMS,isomer #12C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C2C(O[Si](C)(C)C)=C[C@@]2(CO)C1CC[C@@H]2C(=CO[Si](C)(C)C)O[Si](C)(C)C3888.2Standard polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TMS,isomer #13C[C@]12CC[C@@H](O)CC1CCC1C2=C(O[Si](C)(C)C)C[C@]2(CO[Si](C)(C)C)C(=C(CO[Si](C)(C)C)O[Si](C)(C)C)CCC123216.8Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TMS,isomer #13C[C@]12CC[C@@H](O)CC1CCC1C2=C(O[Si](C)(C)C)C[C@]2(CO[Si](C)(C)C)C(=C(CO[Si](C)(C)C)O[Si](C)(C)C)CCC123274.6Standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TMS,isomer #13C[C@]12CC[C@@H](O)CC1CCC1C2=C(O[Si](C)(C)C)C[C@]2(CO[Si](C)(C)C)C(=C(CO[Si](C)(C)C)O[Si](C)(C)C)CCC123744.9Standard polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TMS,isomer #14C[C@]12CC[C@@H](O)CC1CCC1C2=C(O[Si](C)(C)C)C[C@@]2(CO[Si](C)(C)C)C1CC[C@@H]2C(=CO[Si](C)(C)C)O[Si](C)(C)C3223.4Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TMS,isomer #14C[C@]12CC[C@@H](O)CC1CCC1C2=C(O[Si](C)(C)C)C[C@@]2(CO[Si](C)(C)C)C1CC[C@@H]2C(=CO[Si](C)(C)C)O[Si](C)(C)C3213.2Standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TMS,isomer #14C[C@]12CC[C@@H](O)CC1CCC1C2=C(O[Si](C)(C)C)C[C@@]2(CO[Si](C)(C)C)C1CC[C@@H]2C(=CO[Si](C)(C)C)O[Si](C)(C)C3781.7Standard polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TMS,isomer #15C[C@]12CC[C@@H](O)CC1CCC1C3CCC(=C(CO[Si](C)(C)C)O[Si](C)(C)C)[C@@]3(CO[Si](C)(C)C)C=C(O[Si](C)(C)C)C123204.9Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TMS,isomer #15C[C@]12CC[C@@H](O)CC1CCC1C3CCC(=C(CO[Si](C)(C)C)O[Si](C)(C)C)[C@@]3(CO[Si](C)(C)C)C=C(O[Si](C)(C)C)C123221.1Standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TMS,isomer #15C[C@]12CC[C@@H](O)CC1CCC1C3CCC(=C(CO[Si](C)(C)C)O[Si](C)(C)C)[C@@]3(CO[Si](C)(C)C)C=C(O[Si](C)(C)C)C123784.7Standard polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TMS,isomer #16C[C@]12CC[C@@H](O)CC1CCC1C2C(O[Si](C)(C)C)=C[C@@]2(CO[Si](C)(C)C)C1CC[C@@H]2C(=CO[Si](C)(C)C)O[Si](C)(C)C3208.7Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TMS,isomer #16C[C@]12CC[C@@H](O)CC1CCC1C2C(O[Si](C)(C)C)=C[C@@]2(CO[Si](C)(C)C)C1CC[C@@H]2C(=CO[Si](C)(C)C)O[Si](C)(C)C3147.5Standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TMS,isomer #16C[C@]12CC[C@@H](O)CC1CCC1C2C(O[Si](C)(C)C)=C[C@@]2(CO[Si](C)(C)C)C1CC[C@@H]2C(=CO[Si](C)(C)C)O[Si](C)(C)C3822.0Standard polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TMS,isomer #2C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C2C(=O)C[C@]2(CO[Si](C)(C)C)C(=C(CO[Si](C)(C)C)O[Si](C)(C)C)CCC123266.4Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TMS,isomer #2C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C2C(=O)C[C@]2(CO[Si](C)(C)C)C(=C(CO[Si](C)(C)C)O[Si](C)(C)C)CCC123296.3Standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TMS,isomer #2C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C2C(=O)C[C@]2(CO[Si](C)(C)C)C(=C(CO[Si](C)(C)C)O[Si](C)(C)C)CCC123592.2Standard polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TMS,isomer #3C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C2C(O[Si](C)(C)C)=C[C@@]2(CO[Si](C)(C)C)C1CC[C@@H]2C(=O)CO[Si](C)(C)C3188.3Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TMS,isomer #3C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C2C(O[Si](C)(C)C)=C[C@@]2(CO[Si](C)(C)C)C1CC[C@@H]2C(=O)CO[Si](C)(C)C3158.3Standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TMS,isomer #3C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C2C(O[Si](C)(C)C)=C[C@@]2(CO[Si](C)(C)C)C1CC[C@@H]2C(=O)CO[Si](C)(C)C3676.0Standard polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TMS,isomer #4C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C2C(=O)C[C@@]2(CO[Si](C)(C)C)C1CC[C@@H]2C(=CO[Si](C)(C)C)O[Si](C)(C)C3285.8Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TMS,isomer #4C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C2C(=O)C[C@@]2(CO[Si](C)(C)C)C1CC[C@@H]2C(=CO[Si](C)(C)C)O[Si](C)(C)C3205.7Standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TMS,isomer #4C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C2C(=O)C[C@@]2(CO[Si](C)(C)C)C1CC[C@@H]2C(=CO[Si](C)(C)C)O[Si](C)(C)C3646.9Standard polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TMS,isomer #5C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C2=C(O[Si](C)(C)C)C[C@]2(CO[Si](C)(C)C)C(=C(CO)O[Si](C)(C)C)CCC123196.2Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TMS,isomer #5C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C2=C(O[Si](C)(C)C)C[C@]2(CO[Si](C)(C)C)C(=C(CO)O[Si](C)(C)C)CCC123256.8Standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TMS,isomer #5C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C2=C(O[Si](C)(C)C)C[C@]2(CO[Si](C)(C)C)C(=C(CO)O[Si](C)(C)C)CCC123661.2Standard polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TMS,isomer #6C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C2=C(O[Si](C)(C)C)C[C@@]2(CO[Si](C)(C)C)C1CC[C@@H]2C(=CO)O[Si](C)(C)C3123.0Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TMS,isomer #6C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C2=C(O[Si](C)(C)C)C[C@@]2(CO[Si](C)(C)C)C1CC[C@@H]2C(=CO)O[Si](C)(C)C3184.1Standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TMS,isomer #6C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C2=C(O[Si](C)(C)C)C[C@@]2(CO[Si](C)(C)C)C1CC[C@@H]2C(=CO)O[Si](C)(C)C3703.3Standard polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TMS,isomer #7C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C3CCC(=C(CO)O[Si](C)(C)C)[C@@]3(CO[Si](C)(C)C)C=C(O[Si](C)(C)C)C123160.6Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TMS,isomer #7C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C3CCC(=C(CO)O[Si](C)(C)C)[C@@]3(CO[Si](C)(C)C)C=C(O[Si](C)(C)C)C123189.1Standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TMS,isomer #7C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C3CCC(=C(CO)O[Si](C)(C)C)[C@@]3(CO[Si](C)(C)C)C=C(O[Si](C)(C)C)C123717.1Standard polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TMS,isomer #8C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C2C(O[Si](C)(C)C)=C[C@@]2(CO[Si](C)(C)C)C1CC[C@@H]2C(=CO)O[Si](C)(C)C3106.3Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TMS,isomer #8C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C2C(O[Si](C)(C)C)=C[C@@]2(CO[Si](C)(C)C)C1CC[C@@H]2C(=CO)O[Si](C)(C)C3103.0Standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TMS,isomer #8C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C2C(O[Si](C)(C)C)=C[C@@]2(CO[Si](C)(C)C)C1CC[C@@H]2C(=CO)O[Si](C)(C)C3755.2Standard polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TMS,isomer #9C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C2=C(O[Si](C)(C)C)C[C@]2(CO)C(=C(CO[Si](C)(C)C)O[Si](C)(C)C)CCC123228.3Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TMS,isomer #9C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C2=C(O[Si](C)(C)C)C[C@]2(CO)C(=C(CO[Si](C)(C)C)O[Si](C)(C)C)CCC123287.6Standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TMS,isomer #9C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C2=C(O[Si](C)(C)C)C[C@]2(CO)C(=C(CO[Si](C)(C)C)O[Si](C)(C)C)CCC123726.5Standard polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,5TMS,isomer #1C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C2=C(O[Si](C)(C)C)C[C@]2(CO[Si](C)(C)C)C(=C(CO[Si](C)(C)C)O[Si](C)(C)C)CCC123184.1Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,5TMS,isomer #1C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C2=C(O[Si](C)(C)C)C[C@]2(CO[Si](C)(C)C)C(=C(CO[Si](C)(C)C)O[Si](C)(C)C)CCC123298.2Standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,5TMS,isomer #1C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C2=C(O[Si](C)(C)C)C[C@]2(CO[Si](C)(C)C)C(=C(CO[Si](C)(C)C)O[Si](C)(C)C)CCC123528.6Standard polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,5TMS,isomer #2C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C2=C(O[Si](C)(C)C)C[C@@]2(CO[Si](C)(C)C)C1CC[C@@H]2C(=CO[Si](C)(C)C)O[Si](C)(C)C3193.9Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,5TMS,isomer #2C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C2=C(O[Si](C)(C)C)C[C@@]2(CO[Si](C)(C)C)C1CC[C@@H]2C(=CO[Si](C)(C)C)O[Si](C)(C)C3218.3Standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,5TMS,isomer #2C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C2=C(O[Si](C)(C)C)C[C@@]2(CO[Si](C)(C)C)C1CC[C@@H]2C(=CO[Si](C)(C)C)O[Si](C)(C)C3590.1Standard polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,5TMS,isomer #3C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C3CCC(=C(CO[Si](C)(C)C)O[Si](C)(C)C)[C@@]3(CO[Si](C)(C)C)C=C(O[Si](C)(C)C)C123145.2Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,5TMS,isomer #3C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C3CCC(=C(CO[Si](C)(C)C)O[Si](C)(C)C)[C@@]3(CO[Si](C)(C)C)C=C(O[Si](C)(C)C)C123224.9Standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,5TMS,isomer #3C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C3CCC(=C(CO[Si](C)(C)C)O[Si](C)(C)C)[C@@]3(CO[Si](C)(C)C)C=C(O[Si](C)(C)C)C123584.7Standard polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,5TMS,isomer #4C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C2C(O[Si](C)(C)C)=C[C@@]2(CO[Si](C)(C)C)C1CC[C@@H]2C(=CO[Si](C)(C)C)O[Si](C)(C)C3153.3Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,5TMS,isomer #4C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C2C(O[Si](C)(C)C)=C[C@@]2(CO[Si](C)(C)C)C1CC[C@@H]2C(=CO[Si](C)(C)C)O[Si](C)(C)C3123.7Standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,5TMS,isomer #4C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C2C(O[Si](C)(C)C)=C[C@@]2(CO[Si](C)(C)C)C1CC[C@@H]2C(=CO[Si](C)(C)C)O[Si](C)(C)C3645.4Standard polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1CC[C@@]2(C)C(CCC3C2C(=O)C[C@@]2(CO)C3CC[C@@H]2C(=O)CO)C13657.4Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC(=O)[C@H]1CCC2C3CCC4C[C@H](O)CC[C@]4(C)C3C(=O)C[C@@]21CO3688.1Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@]12CC(=O)C3C(CCC4C[C@H](O)CC[C@@]43C)C1CC[C@@H]2C(=O)CO3628.2Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(CO)=C1CCC2C3CCC4C[C@H](O)CC[C@]4(C)C3C(=O)C[C@]12CO3646.4Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=C2C(CCC3C[C@H](O)CC[C@]23C)C2CC[C@H](C(=O)CO)[C@@]2(CO)C13600.7Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=CO)[C@H]1CCC2C3CCC4C[C@H](O)CC[C@]4(C)C3C(=O)C[C@@]21CO3587.5Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,1TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=C[C@@]2(CO)C(CC[C@@H]2C(=O)CO)C2CCC3C[C@H](O)CC[C@]3(C)C123599.4Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@]12CC(=O)C3C(CCC4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@@]43C)C1CC[C@@H]2C(=O)CO3790.4Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4C[C@H](O)CC[C@]4(C)C3C(=O)C[C@@]21CO3802.0Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OCC(=O)[C@H]1CCC2C3CCC4C[C@H](O)CC[C@]4(C)C3C(O[Si](C)(C)C(C)(C)C)=C[C@@]21CO3745.3Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC[C@]12CC(O[Si](C)(C)C(C)(C)C)=C3C(CCC4C[C@H](O)CC[C@]34C)C1CC[C@@H]2C(=O)CO3726.5Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC[C@]12CC(=O)C3C(CCC4C[C@H](O)CC[C@@]43C)C1CCC2=C(CO)O[Si](C)(C)C(C)(C)C3808.3Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC[C@]12C=C(O[Si](C)(C)C(C)(C)C)C3C(CCC4C[C@H](O)CC[C@@]43C)C1CC[C@@H]2C(=O)CO3710.4Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC[C@]12CC(=O)C3C(CCC4C[C@H](O)CC[C@@]43C)C1CC[C@@H]2C(=CO)O[Si](C)(C)C(C)(C)C3726.2Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,2TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1=C2C(CCC3C[C@H](O)CC[C@]23C)C2CCC(=C(CO)O[Si](C)(C)C(C)(C)C)[C@@]2(CO)C13781.5Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,2TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC1=C[C@]2(CO)C(=C(CO)O[Si](C)(C)C(C)(C)C)CCC2C2CCC3C[C@H](O)CC[C@]3(C)C123731.6Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,2TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC(=CO)[C@H]1CCC2C3CCC4C[C@H](O)CC[C@]4(C)C3=C(O[Si](C)(C)C(C)(C)C)C[C@@]21CO3690.9Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,2TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC1=C[C@@]2(CO)C(CC[C@@H]2C(=CO)O[Si](C)(C)C(C)(C)C)C2CCC3C[C@H](O)CC[C@]3(C)C123682.3Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC(=O)[C@H]1CCC2C3CCC4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)C3C(=O)C[C@@]21CO3874.9Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=C2C(CCC3C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]23C)C2CC[C@H](C(=O)CO)[C@@]2(CO)C13795.3Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(CO)=C1CCC2C3CCC4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)C3C(=O)C[C@]12CO3829.4Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=C[C@@]2(CO)C(CC[C@@H]2C(=O)CO)C2CCC3C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]3(C)C123752.3Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=CO)[C@H]1CCC2C3CCC4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)C3C(=O)C[C@@]21CO3786.0Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OCC(=O)[C@H]1CCC2C3CCC4C[C@H](O)CC[C@]4(C)C3C(=O)C[C@@]21CO[Si](C)(C)C(C)(C)C3839.1Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4C[C@H](O)CC[C@]4(C)C3C(=O)C[C@]12CO3853.9Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OCC(=O)[C@H]1CCC2C3CCC4C[C@H](O)CC[C@]4(C)C3=C(O[Si](C)(C)C(C)(C)C)C[C@@]21CO3794.4Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC(=O)[C@H]1CCC2C3CCC4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)C3C(=O)C[C@@]21CO[Si](C)(C)C(C)(C)C4012.6Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1=C2C(CCC3C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]23C)C2CCC(=C(CO)O[Si](C)(C)C(C)(C)C)[C@@]2(CO)C13949.2Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=CO)[C@H]1CCC2C3CCC4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)C3=C(O[Si](C)(C)C(C)(C)C)C[C@@]21CO3870.7Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1=C[C@]2(CO)C(=C(CO)O[Si](C)(C)C(C)(C)C)CCC2C2CCC3C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]3(C)C123890.8Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1=C[C@@]2(CO)C(CC[C@@H]2C(=CO)O[Si](C)(C)C(C)(C)C)C2CCC3C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]3(C)C123849.9Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4C[C@H](O)CC[C@]4(C)C3C(=O)C[C@]12CO[Si](C)(C)C(C)(C)C3981.5Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)OCC(=O)[C@H]1CCC2C3CCC4C[C@H](O)CC[C@]4(C)C3=C(O[Si](C)(C)C(C)(C)C)C[C@@]21CO[Si](C)(C)C(C)(C)C3957.9Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4C[C@H](O)CC[C@]4(C)C3C(=O)C[C@@]21CO[Si](C)(C)C(C)(C)C3968.7Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)OCC(=O)[C@H]1CCC2C3CCC4C[C@H](O)CC[C@]4(C)C3C(O[Si](C)(C)C(C)(C)C)=C[C@@]21CO[Si](C)(C)C(C)(C)C3922.7Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4C[C@H](O)CC[C@]4(C)C3=C(O[Si](C)(C)C(C)(C)C)C[C@]12CO3967.9Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4C[C@H](O)CC[C@]4(C)C3C(O[Si](C)(C)C(C)(C)C)=C[C@]12CO3904.7Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@]12CC(O[Si](C)(C)C(C)(C)C)=C3C(CCC4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]34C)C1CC[C@@H]2C(=O)CO3903.1Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4C[C@H](O)CC[C@]4(C)C3=C(O[Si](C)(C)C(C)(C)C)C[C@@]21CO3908.8Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,3TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4C[C@H](O)CC[C@]4(C)C3C(O[Si](C)(C)C(C)(C)C)=C[C@@]21CO3900.3Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,3TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC[C@]12CC(O[Si](C)(C)C(C)(C)C)=C3C(CCC4C[C@H](O)CC[C@]34C)C1CCC2=C(CO)O[Si](C)(C)C(C)(C)C3927.6Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,3TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC[C@]12CC(O[Si](C)(C)C(C)(C)C)=C3C(CCC4C[C@H](O)CC[C@]34C)C1CC[C@@H]2C(=CO)O[Si](C)(C)C(C)(C)C3841.2Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,3TBDMS,isomer #24CC(C)(C)[Si](C)(C)OC[C@]12C=C(O[Si](C)(C)C(C)(C)C)C3C(CCC4C[C@H](O)CC[C@@]43C)C1CCC2=C(CO)O[Si](C)(C)C(C)(C)C3910.4Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,3TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC[C@]12C=C(O[Si](C)(C)C(C)(C)C)C3C(CCC4C[C@H](O)CC[C@@]43C)C1CC[C@@H]2C(=CO)O[Si](C)(C)C(C)(C)C3847.7Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@]12CC(=O)C3C(CCC4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@@]43C)C1CCC2=C(CO)O[Si](C)(C)C(C)(C)C3957.1Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@]12C=C(O[Si](C)(C)C(C)(C)C)C3C(CCC4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@@]43C)C1CC[C@@H]2C(=O)CO3854.1Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@]12CC(=O)C3C(CCC4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@@]43C)C1CC[C@@H]2C(=CO)O[Si](C)(C)C(C)(C)C3913.1Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)C3C(=O)C[C@]12CO4004.3Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OCC(=O)[C@H]1CCC2C3CCC4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)C3=C(O[Si](C)(C)C(C)(C)C)C[C@@]21CO3956.4Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)C3C(=O)C[C@@]21CO3962.3Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OCC(=O)[C@H]1CCC2C3CCC4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)C3C(O[Si](C)(C)C(C)(C)C)=C[C@@]21CO3898.6Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)C3C(=O)C[C@]12CO[Si](C)(C)C(C)(C)C4126.9Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)C3C(=O)C[C@]12CO[Si](C)(C)C(C)(C)C4075.4Standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)C3C(=O)C[C@]12CO[Si](C)(C)C(C)(C)C3865.4Standard polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)C3C(O[Si](C)(C)C(C)(C)C)=C[C@]12CO4056.3Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)C3C(O[Si](C)(C)C(C)(C)C)=C[C@]12CO3847.9Standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)C3C(O[Si](C)(C)C(C)(C)C)=C[C@]12CO4051.3Standard polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)C3=C(O[Si](C)(C)C(C)(C)C)C[C@@]21CO4088.0Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)C3=C(O[Si](C)(C)C(C)(C)C)C[C@@]21CO3991.1Standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)C3=C(O[Si](C)(C)C(C)(C)C)C[C@@]21CO3988.9Standard polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)C3C(O[Si](C)(C)C(C)(C)C)=C[C@@]21CO4083.0Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)C3C(O[Si](C)(C)C(C)(C)C)=C[C@@]21CO3767.2Standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)C3C(O[Si](C)(C)C(C)(C)C)=C[C@@]21CO4079.7Standard polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TBDMS,isomer #13CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4C[C@H](O)CC[C@]4(C)C3=C(O[Si](C)(C)C(C)(C)C)C[C@]12CO[Si](C)(C)C(C)(C)C4110.8Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TBDMS,isomer #13CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4C[C@H](O)CC[C@]4(C)C3=C(O[Si](C)(C)C(C)(C)C)C[C@]12CO[Si](C)(C)C(C)(C)C4111.9Standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TBDMS,isomer #13CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4C[C@H](O)CC[C@]4(C)C3=C(O[Si](C)(C)C(C)(C)C)C[C@]12CO[Si](C)(C)C(C)(C)C3984.1Standard polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TBDMS,isomer #14CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4C[C@H](O)CC[C@]4(C)C3C(O[Si](C)(C)C(C)(C)C)=C[C@]12CO[Si](C)(C)C(C)(C)C4099.9Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TBDMS,isomer #14CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4C[C@H](O)CC[C@]4(C)C3C(O[Si](C)(C)C(C)(C)C)=C[C@]12CO[Si](C)(C)C(C)(C)C3896.6Standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TBDMS,isomer #14CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4C[C@H](O)CC[C@]4(C)C3C(O[Si](C)(C)C(C)(C)C)=C[C@]12CO[Si](C)(C)C(C)(C)C4004.1Standard polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4C[C@H](O)CC[C@]4(C)C3=C(O[Si](C)(C)C(C)(C)C)C[C@@]21CO[Si](C)(C)C(C)(C)C4100.4Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4C[C@H](O)CC[C@]4(C)C3=C(O[Si](C)(C)C(C)(C)C)C[C@@]21CO[Si](C)(C)C(C)(C)C3999.9Standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4C[C@H](O)CC[C@]4(C)C3=C(O[Si](C)(C)C(C)(C)C)C[C@@]21CO[Si](C)(C)C(C)(C)C4018.0Standard polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4C[C@H](O)CC[C@]4(C)C3C(O[Si](C)(C)C(C)(C)C)=C[C@@]21CO[Si](C)(C)C(C)(C)C4096.0Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4C[C@H](O)CC[C@]4(C)C3C(O[Si](C)(C)C(C)(C)C)=C[C@@]21CO[Si](C)(C)C(C)(C)C3829.9Standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4C[C@H](O)CC[C@]4(C)C3C(O[Si](C)(C)C(C)(C)C)=C[C@@]21CO[Si](C)(C)C(C)(C)C4032.3Standard polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC(=O)[C@H]1CCC2C3CCC4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)C3=C(O[Si](C)(C)C(C)(C)C)C[C@@]21CO[Si](C)(C)C(C)(C)C4133.4Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC(=O)[C@H]1CCC2C3CCC4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)C3=C(O[Si](C)(C)C(C)(C)C)C[C@@]21CO[Si](C)(C)C(C)(C)C4106.2Standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC(=O)[C@H]1CCC2C3CCC4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)C3=C(O[Si](C)(C)C(C)(C)C)C[C@@]21CO[Si](C)(C)C(C)(C)C3895.4Standard polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)C3C(=O)C[C@@]21CO[Si](C)(C)C(C)(C)C4146.1Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)C3C(=O)C[C@@]21CO[Si](C)(C)C(C)(C)C3971.8Standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)C3C(=O)C[C@@]21CO[Si](C)(C)C(C)(C)C3887.5Standard polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC(=O)[C@H]1CCC2C3CCC4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)C3C(O[Si](C)(C)C(C)(C)C)=C[C@@]21CO[Si](C)(C)C(C)(C)C4085.7Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC(=O)[C@H]1CCC2C3CCC4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)C3C(O[Si](C)(C)C(C)(C)C)=C[C@@]21CO[Si](C)(C)C(C)(C)C3819.0Standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC(=O)[C@H]1CCC2C3CCC4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)C3C(O[Si](C)(C)C(C)(C)C)=C[C@@]21CO[Si](C)(C)C(C)(C)C3899.7Standard polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@]12CC(O[Si](C)(C)C(C)(C)C)=C3C(CCC4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]34C)C1CCC2=C(CO)O[Si](C)(C)C(C)(C)C4084.2Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@]12CC(O[Si](C)(C)C(C)(C)C)=C3C(CCC4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]34C)C1CCC2=C(CO)O[Si](C)(C)C(C)(C)C4045.1Standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@]12CC(O[Si](C)(C)C(C)(C)C)=C3C(CCC4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]34C)C1CCC2=C(CO)O[Si](C)(C)C(C)(C)C3905.5Standard polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC[C@]12CC(O[Si](C)(C)C(C)(C)C)=C3C(CCC4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]34C)C1CC[C@@H]2C(=CO)O[Si](C)(C)C(C)(C)C4038.0Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC[C@]12CC(O[Si](C)(C)C(C)(C)C)=C3C(CCC4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]34C)C1CC[C@@H]2C(=CO)O[Si](C)(C)C(C)(C)C3982.4Standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC[C@]12CC(O[Si](C)(C)C(C)(C)C)=C3C(CCC4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]34C)C1CC[C@@H]2C(=CO)O[Si](C)(C)C(C)(C)C3927.3Standard polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC[C@]12C=C(O[Si](C)(C)C(C)(C)C)C3C(CCC4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@@]43C)C1CCC2=C(CO)O[Si](C)(C)C(C)(C)C4067.2Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC[C@]12C=C(O[Si](C)(C)C(C)(C)C)C3C(CCC4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@@]43C)C1CCC2=C(CO)O[Si](C)(C)C(C)(C)C3805.4Standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC[C@]12C=C(O[Si](C)(C)C(C)(C)C)C3C(CCC4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@@]43C)C1CCC2=C(CO)O[Si](C)(C)C(C)(C)C3936.4Standard polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC[C@]12C=C(O[Si](C)(C)C(C)(C)C)C3C(CCC4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@@]43C)C1CC[C@@H]2C(=CO)O[Si](C)(C)C(C)(C)C4022.7Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC[C@]12C=C(O[Si](C)(C)C(C)(C)C)C3C(CCC4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@@]43C)C1CC[C@@H]2C(=CO)O[Si](C)(C)C(C)(C)C3753.0Standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC[C@]12C=C(O[Si](C)(C)C(C)(C)C)C3C(CCC4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@@]43C)C1CC[C@@H]2C(=CO)O[Si](C)(C)C(C)(C)C3949.5Standard polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)C3=C(O[Si](C)(C)C(C)(C)C)C[C@]12CO4134.4Semi standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)C3=C(O[Si](C)(C)C(C)(C)C)C[C@]12CO4101.1Standard non polar33892256
18-Hydroxy-11-dehydrotetrahydrocorticosterone,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)C3=C(O[Si](C)(C)C(C)(C)C)C[C@]12CO3951.6Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 18-Hydroxy-11-dehydrotetrahydrocorticosterone GC-MS (Non-derivatized) - 70eV, Positivesplash10-05v0-0309000000-e5a3a529d17a1914a71d2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 18-Hydroxy-11-dehydrotetrahydrocorticosterone GC-MS (3 TMS) - 70eV, Positivesplash10-014i-1100390000-44bed125b167e579eb3e2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 18-Hydroxy-11-dehydrotetrahydrocorticosterone GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 18-Hydroxy-11-dehydrotetrahydrocorticosterone GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 18-Hydroxy-11-dehydrotetrahydrocorticosterone 10V, Positive-QTOFsplash10-00mk-0009000000-074b3045e311f290f0572017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 18-Hydroxy-11-dehydrotetrahydrocorticosterone 20V, Positive-QTOFsplash10-00os-0019000000-7d5473b172f18a3846e32017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 18-Hydroxy-11-dehydrotetrahydrocorticosterone 40V, Positive-QTOFsplash10-00kr-3298000000-1fff7b1e86db6bfc8bec2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 18-Hydroxy-11-dehydrotetrahydrocorticosterone 10V, Negative-QTOFsplash10-03di-0009000000-75719bdc77ba082a441c2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 18-Hydroxy-11-dehydrotetrahydrocorticosterone 20V, Negative-QTOFsplash10-07wa-1009000000-37c9b0c0f503fed120d72017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 18-Hydroxy-11-dehydrotetrahydrocorticosterone 40V, Negative-QTOFsplash10-056r-4096000000-05e7ac1fcc9232d813632017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 18-Hydroxy-11-dehydrotetrahydrocorticosterone 10V, Negative-QTOFsplash10-03di-0009000000-2d1f7ed49e286f1be5402021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 18-Hydroxy-11-dehydrotetrahydrocorticosterone 20V, Negative-QTOFsplash10-0a4i-9028000000-4c21c514e3ea3fa3b9f72021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 18-Hydroxy-11-dehydrotetrahydrocorticosterone 40V, Negative-QTOFsplash10-01wf-3059000000-576b1375b2407cb4a5792021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 18-Hydroxy-11-dehydrotetrahydrocorticosterone 10V, Positive-QTOFsplash10-014j-0019000000-3e5f07ce2d4cbfb248612021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 18-Hydroxy-11-dehydrotetrahydrocorticosterone 20V, Positive-QTOFsplash10-00mk-0129000000-9a3fb1d7ed97210fbd1e2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 18-Hydroxy-11-dehydrotetrahydrocorticosterone 40V, Positive-QTOFsplash10-006x-9742000000-b862d3ba40afe083bcdf2021-09-24Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Extracellular
  • Membrane
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB029313
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound53481635
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
  2. Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
  3. Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
  4. Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
  5. Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.