21-Chloropregnenolone
2-chloro-1-[(8S,9S,10R,13S,14S,17S)-3-hydroxy-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: 21-Chloropregnenolone|21-Cpg|21-Chloro-3-hydroxypregn-5-en-20-one|Pregn-5-en-20-one, 21-chloro-3-hydroxy-, (3beta)-|2-chloro-1-[(8S,9S,10R,13S,14S,17S)-3-hydroxy-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 | C21H31ClO2 |
|---|---|
| Molecular Weight | 350.20126 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 350.20126 |
| Monoisotopic Mass | 350.20126 |
| Heavy Atoms | 24 |
| Complexity | 570.0 |
Chemical Identifiers
| CAS Number | 30459-98-4 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CCl)CC=C4[C@@]3(CCC(C4)O)C |
| InChIKey | PKGVHUPHLJLSIM-JIUSCHCVSA-N |
Product Overview
21-Chloropregnenolone (CAS 30459-98-4), with molecular formula C21H31ClO2 and molecular weight 350.20126 g/mol. IUPAC: 2-chloro-1-[(8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone.
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