AC1L78XB
2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoacetaldehyde
Also Known As: 3,20-dioxo-4-pregnen-21-al|3,20-Dioxopregn-4-en-21-al|2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoacetaldehyde|2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,
| Molecular Formula | C21H28O3 |
|---|---|
| Molecular Weight | 328.20386 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 328.20386 |
| Monoisotopic Mass | 328.20386 |
| Heavy Atoms | 24 |
| Complexity | 633.0 |
Chemical Identifiers
| CAS Number | 853-27-0 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)C=O)CCC4=CC(=O)CC[C@]34C |
| InChIKey | FXJQDFFSUVVCMK-YFWFAHHUSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
AC1L78XB (CAS 853-27-0), with molecular formula C21H28O3 and molecular weight 328.20386 g/mol. IUPAC: 2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoacetaldehyde.
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