(20S)-Pregnane-3alpha,20-diol
(3R,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
Also Known As: pregnanediol|3a,20b-Pregnanediol|(20S)-Pregnane-3alpha,20-diol|Hydroxydione succinate|Pregnan-3alpha,20alpha-diol|Pregnane-3alpha,20alpha-diol|3-alpha,20-beta-Pregnanediol|EINECS 249-255-1|(3|A,20s)-pregnane-3,20-diol|KST-1A8583|(20S)3alpha,20-Dihydroxy-pregnane|NSC 1612; NSC 47462|Pregnane-3,20-diol, (3.alpha.,20S)-|Pregnane-3,20-diol, (3a,20S)- (9CI)|(3R,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol|(1S,3aS,3bR,7R,9aS,9bS,11aS)-1-[(1S)-1-hydroxyethyl]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-ol
| Molecular Formula | C21H36O2 |
|---|---|
| Molecular Weight | 320.27155 g/mol |
| LogP | 4.39 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 320.27155 |
| Heavy Atoms | 23 |
| Complexity | 460.8 |
Chemical Identifiers
| CAS Number | 28818-70-4 |
|---|---|
| SMILES | C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CC[C@H](C4)O)C)C)O |
Product Overview
(20S)-Pregnane-3alpha,20-diol (CAS 28818-70-4), with molecular formula C21H36O2 and molecular weight 320.27155 g/mol. IUPAC: (3R,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol.
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