6-Chloro-17-ethylpregna-4,6-diene-3,20-dione
(8S,9S,10R,13S,14S,17S)-17-acetyl-6-chloro-17-ethyl-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one
Also Known As: 6-Chloro-17-ethylpregna-4,6-diene-3,20-dione|6-Chloro-17-ethyl-pregna-4,6-diene-3,20-dione|6-Chloro-6-dehydro-17-alpha-ethylprogesterone|Pregna-4,6-diene-3,20-dione, 6-chloro-17-ethyl-|17-Acetyl-6-chloropregna-4,6-dien-3-one|(8S,9S,10R,13S,14S,17S)-17-acetyl-6-chloro-17-ethyl-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one|(1S,3aS,3bS,9aR,9bS,11aS)-1-acetyl-5-chloro-1-ethyl-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
| Molecular Formula | C23H31ClO2 |
|---|---|
| Molecular Weight | 374.20126 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 374.20126 |
| Monoisotopic Mass | 374.20126 |
| Heavy Atoms | 26 |
| Complexity | 734.0 |
Chemical Identifiers
| CAS Number | 802-81-3 |
|---|---|
| SMILES | CC[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)CC[C@]34C)Cl)C)C(=O)C |
| InChIKey | FBALPBIKGCMYPR-CZZSXQRJSA-N |
Product Overview
6-Chloro-17-ethylpregna-4,6-diene-3,20-dione (CAS 802-81-3), with molecular formula C23H31ClO2 and molecular weight 374.20126 g/mol. IUPAC: (8S,9S,10R,13S,14S,17S)-17-acetyl-6-chloro-17-ethyl-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one.