Epicholesterol
(3R,8S,9S,10R,13R,14S,17R)-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]phenanthren-3-ol
Also Known As: Epicholesterol|epi-Cholesterol|3-Epicholesterol|3alpha-Cholesterol|alpha-Cholesterol|cholesterol|Epicholesterol [MI]|Cholest-5-en-3alpha-ol|3-Epi -Cholesterol|Cholesterol Impurity 46|Cholest-5-en-3-ol #|Cholest-5-en-3-ol, (3alpha)-|.ALPHA.-CHOLESTEROL|Cholest-5-en-3-ol, (3a)-|3.ALPHA.-CHOLESTEROL|(3-alpha)-Cholest-5-en-3-ol|Cholest-5-en-3-ol (3 alpha)|Cholest-5-en-3-ol, (3.alpha.)-|(3R,8S,9S,10R,13R,14S,17R)-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]phenanthren-3-ol|SR-05000000442-2|SR-05000000442-3|(1R,3aS,3bS,7R,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol|(3R,8S,9S,10R,13R,14S,17R)-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]phenanthren-3-ol
| Molecular Formula | C27H46O |
|---|---|
| Molecular Weight | 386.35486 g/mol |
| LogP | 7.3887 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 386.35486 |
| Monoisotopic Mass | 386.35486 |
| Heavy Atoms | 28 |
| Complexity | 591.0697 |
Chemical Identifiers
| CAS Number | 474-77-1 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@H](C4)O)C)C |
Product Overview
Epicholesterol (CAS 474-77-1), with molecular formula C27H46O and molecular weight 386.35486 g/mol. IUPAC: (3R,8S,9S,10R,13R,14S,17R)-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]phenanthren-3-ol.