3-beta-Chloropregn-5-en-20-one
1-[(3S,8S,9S,10R,13S,14S,17S)-3-chloro-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
Also Known As: 3-beta-Chloropregn-5-en-20-one|3-chloropregn-5-en-20-one|3beta-Chloropregn-5-en-20-one|Pregn-5-en-20-one, 3-beta-chloro-|3-beta-Chloro-delta(sup 5)-pregnen-20-one|Pregn-5-en-20-one, 3-chloro-, (3-beta)-|1-[(1S,3aS,3bS,7S,9aR,9bS,11aS)-7-chloro-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]ethan-1-one|1-[(3S,8S,9S,10R,13S,14S,17S)-3-chloro-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
| Molecular Formula | C21H31ClO |
|---|---|
| Molecular Weight | 334.20633 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 334.20633 |
| Monoisotopic Mass | 334.20633 |
| Heavy Atoms | 23 |
| Complexity | 552.0 |
Chemical Identifiers
| CAS Number | 1906-01-0 |
|---|---|
| SMILES | CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)Cl)C)C |
| InChIKey | OIDXWRLKJLJKRZ-QGVNFLHTSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-beta-Chloropregn-5-en-20-one (CAS 1906-01-0), with molecular formula C21H31ClO and molecular weight 334.20633 g/mol. IUPAC: 1-[(3S,8S,9S,10R,13S,14S,17S)-3-chloro-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone.
3-beta-Chloropregn-5-en-20-one is a custom synthesis product. We offer services from milligram to kilogram scale.
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