5alpha-Bromo-6,19-epoxycholestan-3beta-ol acetate
[(1R,2S,5R,6R,9S,10S,12R,13R,15S)-13-bromo-5-methyl-6-[(2R)-6-methylheptan-2-yl]-19-oxapentacyclo[10.5.2.01,13.02,10.05,9]nonadecan-15-yl] acetate
Also Known As: (3beta,5alpha,6beta)-|5a-Bromo-6,19-epoxycholestanol 3-Acetate|Cid 102074|5alpha-Bromo-6,19-epoxycholestan-3beta-ol acetate|5-Bromo-6,19-epoxycholestan-3-yl acetate|5?-Bromo-6,19-epoxycholestanol 3-Acetate|A-Bromo-6,19-epoxycholestanol 3-Acetate|5alpha-Bromo-6,19-epoxycholestanol 3-acetate|5-Bromo-6beta,19-epoxy-5alpha-cholestan-3beta-ol acetate|5-Bromo-5beta,6beta-6,19-epoxycholestan-3alpha-yl acetate|6EC,19-epoxy-5-bromo-5I<<-cholestane-3EC-ol 3-acetate|[(1R,2S,5R,6R,9S,10S,12R,13R,15S)-13-bromo-5-methyl-6-[(2R)-6-methylheptan-2-yl]-19-oxapentacyclo[10.5.2.01,13.02,10.05,9]nonadecan-15-yl] acetate|5.alpha.-Cholestan-3.beta.-ol, 5-bromo-6.beta.,19-epoxy-, acetate|Cholestan-3-ol, 5-bromo-6,19-epoxy-, acetate, (3beta,5alpha,6beta)-|Cholestan-3-ol, 5-bromo-6,19-epoxy-, acetate, (3.beta.,5.alpha.,6.beta.)-|(1R,2S,5R,6R,9S,10S,12R,13R,15S)-13-bromo-5-methyl-6-[(2R)-6-methylheptan-2-yl]-19-oxapentacyclo[10.5.2.01,13.02,10.05,9]nonadecan-15-yl acetate|(3beta,5alpha,6beta)-5-Bromo-6,19-epoxy-cholestan-3-ol Acetate; 5alpha-Bromo-6,19-oxidocholestanol Acetate
| Molecular Formula | C29H47BrO3 |
|---|---|
| Molecular Weight | 522.2709 g/mol |
| LogP | 7.55 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 522.2709 |
| Heavy Atoms | 33 |
| Complexity | 753.1 |
Chemical Identifiers
| CAS Number | 1258-07-7 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]4[C@@]5([C@@]3(CC[C@@H](C5)OC(=O)C)CO4)Br)C |
Product Overview
5alpha-Bromo-6,19-epoxycholestan-3beta-ol acetate (CAS 1258-07-7), with molecular formula C29H47BrO3 and molecular weight 522.2709 g/mol. IUPAC: [(1R,2S,5R,6R,9S,10S,12R,13R,15S)-13-bromo-5-methyl-6-[(2R)-6-methylheptan-2-yl]-19-oxapentacyclo[10.5.2.01,13.02,10.05,9]nonadecan-15-yl] acetate.
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