Cholest-4-ene-3,6-dione
(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione
Also Known As: Cholest-4-ene-3,6-dione|Cholest-4-en-3,6-dione|4-Cholestene-3,6-dione|.DELTA.4-Cholestene-3,6-dione|CHOLEST-5-ENE-3,6-DIONE|(20R)-Cholest-4-ene-3,6-dione|.delta.(Sup4)-Cholestene-3,6-dione|(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione|(1R,3aS,3bS,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-5,7-dione|(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((2R)-6-methylheptan-2-yl)-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta(a)phenanthrene-3,6-dione
| Molecular Formula | C27H42O2 |
|---|---|
| Molecular Weight | 398.31848 g/mol |
| LogP | 6.78 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.31848 |
| Heavy Atoms | 29 |
| Complexity | 703.3 |
Chemical Identifiers
| CAS Number | 984-84-9 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)C4=CC(=O)CC[C@]34C)C |
Product Overview
Cholest-4-ene-3,6-dione (CAS 984-84-9), with molecular formula C27H42O2 and molecular weight 398.31848 g/mol. IUPAC: (8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione.
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