4-Bromocholest-4-en-3-one
(8S,9S,10R,13R,14S,17R)-4-bromo-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Also Known As: 4-Bromocholest-4-en-3-one|4-Bromo-4-cholesten-3-one|4-Bromocholesta-4-ene-3-one|Cholest-4-en-3-one, 4-bromo-|Cholest-4-en-3-one,4-bromo|4-Bromocholest-4-en-3-one #|J1.402.324K|(8S,9S,10R,13R,14S,17R)-4-bromo-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|(1R,3aS,3bS,9aR,9bS,11aR)-6-bromo-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]phenanthren-7-one
| Molecular Formula | C27H43BrO |
|---|---|
| Molecular Weight | 462.24973 g/mol |
| LogP | 8.3195 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 462.24973 |
| Monoisotopic Mass | 462.24973 |
| Heavy Atoms | 29 |
| Complexity | 678.02527 |
Chemical Identifiers
| CAS Number | 3702-37-2 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C(C(=O)CC[C@]34C)Br)C |
Product Overview
4-Bromocholest-4-en-3-one (CAS 3702-37-2), with molecular formula C27H43BrO and molecular weight 462.24973 g/mol. IUPAC: (8S,9S,10R,13R,14S,17R)-4-bromo-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one.