3beta-Acetoxy-5alpha-pregnan-20-one
[(3S,5S,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Also Known As: A-Pregnan-3|Allopregnanolone acetate|3beta-Acetoxy-5alpha-pregnan-20-one|ALLOPREGNANOLONEACETATE|20-Oxopregnan-3-yl acetate #|Allopregnan-3-ol-20-one acetate|3beta-Hydroxy-5alpha-pregnan-20-one acetate|Pregnan-3-.beta.-acetoxy-20-one|3|A-acetoxy-5|A-pregnan-20-one|5.alpha.-Pregnan-20-one, acetate|Allopregnan-3.beta.-ol-20-one acetate|5-Pregnan-3-ol-20-one 3-acetate|Allopregnan-3.|A.-ol-20-one acetate|5?-Pregnan-3?-ol-20-one 3?-acetate|5alpha-Pregnan-3beta-ol-20-one 3beta-acetate|Pregnan-20-one, (3.beta.,5.alpha.)-|3.beta.-Acetoxy-5.alpha.-pregnan-20-one|5|A-Pregnan-3|A-ol-20-one 3|A-acetate|allopregnan-3beta-ol-20-one 3beta-acetate|5.alpha.-Pregnan-3.beta.-ol-20-one, acetate|5.alpha.-Pregnan-20-one, 3.beta.-hydroxy-, acetate|20-OXO-5-BETA-PREGNAN-3-BETA-YL ACETATE|Acetic acid 20-oxo-5alpha-pregnan-3beta-yl ester|[(3S,5S,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate|Pregnan-20-one, 3-(acetyloxy)-, (3.beta.,5.alpha.)-|5alpha-Pregnan-3beta-ol-20-one 3beta-acetate, >=98%|3-Hydroxy-5-pregnan-20-one acetate, Allopregnanolone acetate|(1S,3aS,3bR,5aS,7S,9aS,9bS,11aS)-1-acetyl-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl acetate|(3S,5S,8R,9S,10S,13S,14S,17S)-17-Acetyl-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate
| Molecular Formula | C23H36O3 |
|---|---|
| Molecular Weight | 360.26645 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 360.26645 |
| Monoisotopic Mass | 360.26645 |
| Heavy Atoms | 26 |
| Complexity | 598.0 |
Chemical Identifiers
| CAS Number | 906-83-2 |
|---|---|
| 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)OC(=O)C)C)C |
| InChIKey | GFHOQCXDABGYAL-POBGKJHXSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3beta-Acetoxy-5alpha-pregnan-20-one (CAS 906-83-2), with molecular formula C23H36O3 and molecular weight 360.26645 g/mol. IUPAC: [(3S,5S,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate.
3beta-Acetoxy-5alpha-pregnan-20-one is a custom synthesis product. We offer services from milligram to kilogram scale.
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