12-Hydroxyandrosta-1,4-diene-3,17-dione
(8R,9S,10R,13R,14S)-12-hydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione
Also Known As: 12-Ohdd|12-Hydroxyandrosta-1,4-diene-3,17-dione|12-hydroxy-1,4-androstadiene-3,17-dione|Androsta-1,4-diene-3,17-dione,12-hydroxy-, (12b)-|Androsta-1,4-diene-3,17-dione, 12-hydroxy-, (12beta)-|(8R,9S,10R,13R,14S)-12-hydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione
| Molecular Formula | C19H24O3 |
|---|---|
| Molecular Weight | 300.17255 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 300.17255 |
| Monoisotopic Mass | 300.17255 |
| Heavy Atoms | 22 |
| Complexity | 616.0 |
Chemical Identifiers
| CAS Number | 28840-96-2 |
|---|---|
| SMILES | C[C@]12C=CC(=O)C=C1CC[C@@H]3[C@@H]2CC([C@]4([C@H]3CCC4=O)C)O |
| InChIKey | ZHWCPUFUYVTHSO-LADWCZHWSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
12-Hydroxyandrosta-1,4-diene-3,17-dione (CAS 28840-96-2), with molecular formula C19H24O3 and molecular weight 300.17255 g/mol. IUPAC: (8R,9S,10R,13R,14S)-12-hydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione.