CTK1C4994
2-[(8S,9S,10R,13S,14S)-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-ylidene]acetic acid
Also Known As: Pregna-4,17(20)-dien-21-oicacid, 3,11-dioxo-, (17Z)-
CAS: 31056-07-2
| Molecular Formula | C21H26O4 |
|---|---|
| Molecular Weight | 342.1831 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 342.1831 |
| Monoisotopic Mass | 342.1831 |
| Heavy Atoms | 25 |
| Complexity | 730.0 |
Chemical Identifiers
| CAS Number | 31056-07-2 |
|---|---|
| SMILES | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CCC4=CC(=O)O)C |
| InChIKey | BXYNPSUFUJLXBQ-ZNRKGROKSA-N |
Product Overview
CTK1C4994 (CAS 31056-07-2), with molecular formula C21H26O4 and molecular weight 342.1831 g/mol. IUPAC: 2-[(8S,9S,10R,13S,14S)-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-ylidene]acetic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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