5a-Estrane-3b,17b-diol
(3S,5S,8R,9R,10S,13S,14S,17S)-13-methyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene-3,17-diol
Also Known As: 5a-Estrane-3b,17b-diol|5alpha-estrane-3beta,17beta-diol|5|A-Estrane-3|A,17|A-diol|3b,5a,17b)-Estrane-3,17-diol|19-Nor-5a-androstane-3b,17b-diol|5alpha-Estrane-3beta,17betaalpha-diol|19-Nor-5|A-androstane-3|A,17|A-diol|(3|A,5|A,17|A)-Estrane-3,17-diol|5a-Estrane-3b,17b-diol (1 mg/ml in Methanol)|5a-Estrane-3b,17b-diol (1.0 mg/ml in Methanol)|19-Nor-5a-androstane-3ss,17ss-diol; (3ss,5a,17ss)-Estrane-3,17-diol|(1S,3aS,3bR,5aS,7S,9aS,9bR,11aS)-11a-methyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-1,7-diol
| Molecular Formula | C18H30O2 |
|---|---|
| Molecular Weight | 278.22458 g/mol |
| LogP | 3.3608 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 278.22458 |
| Monoisotopic Mass | 278.22458 |
| Heavy Atoms | 20 |
| Complexity | 381.6145 |
Chemical Identifiers
| CAS Number | 1816-75-7 |
|---|---|
| SMILES | C[C@]12CC[C@@H]3[C@H]4CC[C@@H](C[C@@H]4CC[C@H]3[C@@H]1CC[C@@H]2O)O |
Product Overview
5a-Estrane-3b,17b-diol (CAS 1816-75-7), with molecular formula C18H30O2 and molecular weight 278.22458 g/mol. IUPAC: (3S,5S,8R,9R,10S,13S,14S,17S)-13-methyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene-3,17-diol.