3-Spirooxiranylpregnan-20-ol
(1R)-1-[(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethylspiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-oxirane]-17-yl]ethanol
Also Known As: 3-SPOPO|3-Spirooxiranylpregnan-20-ol|3beta-Spiro-oxiranyl-5alpha-pregnan-20beta-ol|(1R)-1-[(1S,2'S,3aS,3bR,5aS,9aS,9bS,11aS)-9a,11a-Dimethylhexadecahydrospiro[cyclopenta[a]phenanthrene-7,2'-oxiran]-1-yl]ethan-1-ol|(1R)-1-[(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethylspiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-oxirane]-17-yl]ethanol|1-(10,13-Dimethylhexadecahydrospiro[cyclopenta[a]phenanthrene-3,2'-oxiran]-17-yl)ethan-1-ol
| Molecular Formula | C22H36O2 |
|---|---|
| Molecular Weight | 332.27155 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 32.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 332.27155 |
| Monoisotopic Mass | 332.27155 |
| Heavy Atoms | 24 |
| Complexity | 532.0 |
Chemical Identifiers
| CAS Number | 96087-24-0 |
|---|---|
| SMILES | C[C@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@]5(C4)CO5)C)C)O |
| InChIKey | TXTPYCUXAOIEQA-RRXWDWNBSA-N |
Product Overview
3-Spirooxiranylpregnan-20-ol (CAS 96087-24-0), with molecular formula C22H36O2 and molecular weight 332.27155 g/mol. IUPAC: (1R)-1-[(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethylspiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-oxirane]-17-yl]ethanol.
3-Spirooxiranylpregnan-20-ol is a custom synthesis product. We offer services from milligram to kilogram scale.
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