3beta-Bromocholest-5-ene
3-bromo-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
Also Known As: Cholesteryl bromide|3-Bromocholest-5-ene|3beta-Bromocholest-5-ene|Cholest-5-ene, 3-bromo-, (3beta)-|EINECS 208-227-9|Cholest-5-ene, 3-bromo-, (3.beta.)-|3-bromo-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene|(3beta)-cholest-5-en;3-bromo-,(3.beta.)-Cholest-5-ene;CHOLESTERYL BROMIDE;5-CHOLESTENE-3-BETA-BROMO;3BETA-BROMO-5-CHOLESTENE;3beta-bromocholest-5-ene;3|A-Bromo-5-cholestene;Cholesteryl Bromide from Beef Fat|(3R,8S,9S,10R,13R,14S,17R)-3-Bromo-10,13-dimethyl-17-[(R)-6-methyl-2-heptanyl]-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene|(3S,8S,9S,10R,13R,14S,17R)-3-bromo-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene|(3S,8S,9S,10R,13R,14S,17R)-3-bromo-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene|3-bromo-17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene|N/A
| Molecular Formula | C27H45Br |
|---|---|
| Molecular Weight | 448.27045 g/mol |
| LogP | 8.79 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 5 |
| Exact Mass | 448.27045 |
| Heavy Atoms | 28 |
| Complexity | 591.1 |
Chemical Identifiers
| CAS Number | 516-91-6 |
|---|---|
| SMILES | CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)Br)C)C |
Product Overview
3beta-Bromocholest-5-ene (CAS 516-91-6), with molecular formula C27H45Br and molecular weight 448.27045 g/mol. IUPAC: 3-bromo-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene.
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