Epipregnanolone
1-[(3S,5R,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
Also Known As: Epipregnanolone|Pregnanolone I|Allopregnanolone|5beta-Pregnanolone|Epiallopregnanolone|3b,5b-Pregnanolone|5.beta.-Pregnanolone|Pregnan-3-ol-20-one|3Beta-hydroxy-5beta-pregnan-20-one|3beta-Hydroxy-5beta-pregnane-20-one|3-Hydroxypregnan-20-one|Pregnan-3beta-ol-20-one|5b-Pregnan-3b-ol-20-one|5b-Pregnane-3b-ol-20-one|Pregnan-3.beta.-ol-20-one|3beta-Hydroxy-5beta-tetrahydroprogesterone|Pregnan-20-one, 3-hydroxy-|Pregnan-3beta-ol-20-one (VAN)|3B-HYDROXY-5B-PREGNAN-20-ONE|3b-Hydroxy-5b-pregnane-20-one|5b-Pregnane-3b-hydroxy-20-one|5beta-pregnan-3beta-ol-20-one|5|A-Pregnan-3|A-Ol-20-One|(3beta,5beta)-3-hydroxypregnan-20-one|3-BETA-HYDROXY-5-BETA-PREGNAN-20-ONE|3EC-hydroxy-5EC-pregnan-20-one|5-Beta-pregnan-3-beta-ol-20-one|3b-Hydroxy-5b-tetrahydroprogesterone|3.BETA.,5.BETA.-PREGNANOLONE
| Molecular Formula | C21H34O2 |
|---|---|
| Molecular Weight | 318.2559 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 318.2559 |
| Monoisotopic Mass | 318.2559 |
| Heavy Atoms | 23 |
| Complexity | 500.0 |
Chemical Identifiers
| CAS Number | 5429-75-4 |
|---|---|
| SMILES | CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@@H](C4)O)C)C |
| InChIKey | AURFZBICLPNKBZ-GRWISUQFSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Epipregnanolone (CAS 5429-75-4), with molecular formula C21H34O2 and molecular weight 318.2559 g/mol. IUPAC: 1-[(3S,5R,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone.