AC1L5IGN
[(3S,5R,6R,8S,13S,14S,17S)-17-acetyl-6-chloro-5,13-dimethyl-2,3,4,6,7,8,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Also Known As: 6-Chloro-5-methyl-20-oxo-19-norpregn-9-en-3-yl acetate|[(3S,5R,6R,8S,13S,14S,17S)-17-acetyl-6-chloro-5,13-dimethyl-2,3,4,6,7,8,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate|6beta-Chloro-5-methyl-20-oxo-5beta-19-norpregn-9-en-3beta-yl acetate|(3S,5R,6R,8S,13S,14S,17S)-17-acetyl-6-chloro-5,13-dimethyl-2,3,4,5,6,7,8,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate
| Molecular Formula | C23H33ClO3 |
|---|---|
| Molecular Weight | 392.21182 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 392.21182 |
| Monoisotopic Mass | 392.21182 |
| Heavy Atoms | 27 |
| Complexity | 698.0 |
Chemical Identifiers
| CAS Number | 81982-83-4 |
|---|---|
| SMILES | CC(=O)[C@H]1CC[C@@H]2[C@@]1(CCC3=C4CC[C@@H](C[C@]4([C@@H](C[C@@H]23)Cl)C)OC(=O)C)C |
| InChIKey | DWNZKLPTZXYKGK-DQLVZRRUSA-N |
Product Overview
AC1L5IGN (CAS 81982-83-4), with molecular formula C23H33ClO3 and molecular weight 392.21182 g/mol. IUPAC: [(3S,5R,6R,8S,13S,14S,17S)-17-acetyl-6-chloro-5,13-dimethyl-2,3,4,6,7,8,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate.
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