Pregnane-2,3-dione
(8S,9S,10S,13R,14S,17S)-17-ethyl-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2,3-dione
Also Known As: Pregnanedione|pregnane-2,3-dione|(8S,9S,10S,13R,14S,17S)-17-ethyl-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2,3-dione
| Molecular Formula | C21H32O2 |
|---|---|
| Molecular Weight | 316.24023 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 316.24023 |
| Monoisotopic Mass | 316.24023 |
| Heavy Atoms | 23 |
| Complexity | 538.0 |
Chemical Identifiers
| CAS Number | 33982-93-3 |
|---|---|
| SMILES | CC[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CC(=O)C(=O)C4)C)C |
| InChIKey | ZAWFKXSZCOAQKP-HUOPTEJRSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pregnane-2,3-dione (CAS 33982-93-3), with molecular formula C21H32O2 and molecular weight 316.24023 g/mol. IUPAC: (8S,9S,10S,13R,14S,17S)-17-ethyl-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2,3-dione.
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