5,6-Epoxycholesterol
(1S,2R,5S,11S,12S,15R,16R)-2,16-dimethyl-15-[(2R)-6-methylheptan-2-yl]-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-5-ol
Also Known As: 5,6-Epoxycholesterol|Epoxycholesterol|Cholesterol oxide|6H-5,6-Epoxycholesterol|5,6-epoxycholestan-3beta-ol|Cholesterol-5beta,6beta-epoxide|5,6-epoxy-5xi-cholestan-3beta-ol|Cholestan-3-ol, 5,6-epoxy-, (3beta)-|(1S,2R,5S,11S,12S,15R,16R)-2,16-dimethyl-15-[(2R)-6-methylheptan-2-yl]-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-5-ol|F63658E9-405F-489D-B81A-CF6FBAA227CB
| Molecular Formula | C27H46O2 |
|---|---|
| Molecular Weight | 402.3498 g/mol |
| LogP | 6.5999 |
| Topological Polar Surface Area | 32.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.3498 |
| Monoisotopic Mass | 402.3498 |
| Heavy Atoms | 29 |
| Complexity | 630.02734 |
Chemical Identifiers
| CAS Number | 55700-78-2 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC4C5([C@@]3(CC[C@@H](C5)O)C)O4)C |
Product Overview
5,6-Epoxycholesterol (CAS 55700-78-2), with molecular formula C27H46O2 and molecular weight 402.3498 g/mol. IUPAC: (1S,2R,5S,11S,12S,15R,16R)-2,16-dimethyl-15-[(2R)-6-methylheptan-2-yl]-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-5-ol.