Allopregnanolone
1-[(3S,5S,8R,9S,10S,13S,14S,17R)-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: Allopregnanolone|5alpha(17alpha)-Pregnan-3beta-ol-20-one|J1.617.246D|(17alpha)-3beta-Hydroxy-5alpha-pregnane-20-one|1-[(1R,3aS,3bR,5aS,7S,9aS,9bS,11aS)-7-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]ethan-1-one|1-[(3S,5S,8R,9S,10S,13S,14S,17R)-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
| 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 | 128-21-2 |
|---|---|
| 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-UAMJIQGISA-N |
Product Overview
Allopregnanolone (CAS 128-21-2), with molecular formula C21H34O2 and molecular weight 318.2559 g/mol. IUPAC: 1-[(3S,5S,8R,9S,10S,13S,14S,17R)-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.
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