5,7,22-Cholestatrien-3beta-ol
(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(E,2R)-6-methylhept-3-en-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Also Known As: 5,7,22-Cholestatrien-3beta-ol|7,22-Bisdehydrocholesterol|Cholesta-5,7,22-trien-3beta-ol|delta-5,7,22-Cholestatrien-3beta-ol|7,8,22,23-Tetradehydrocholesterol|(22E)-Cholesta-5,7,22-trien-3beta-ol|Cholesta-5,7,22-trien-3-ol, (3beta)-|24-Demethylergosta-5,7,22-triene-3beta-ol|(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(E,2R)-6-methylhept-3-en-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol|(1R,3aR,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylhept-3-en-2-yl]-1H,2H,3H,3aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol|(1R,3aR,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R,3E)-6-methylhept-3-en-2-yl]-1H,2H,3H,3aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol|(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-((E,2R)-6-methylhept-3-en-2-yl)-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta(a)phenanthren-3-ol
| Molecular Formula | C27H42O |
|---|---|
| Molecular Weight | 382.32358 g/mol |
| LogP | 7.0848 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 382.32358 |
| Monoisotopic Mass | 382.32358 |
| Heavy Atoms | 28 |
| Complexity | 682.37585 |
Chemical Identifiers
| CAS Number | 19633-95-5 |
|---|---|
| SMILES | C[C@H](/C=C/CC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C |
Product Overview
5,7,22-Cholestatrien-3beta-ol (CAS 19633-95-5), with molecular formula C27H42O and molecular weight 382.32358 g/mol. IUPAC: (3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(E,2R)-6-methylhept-3-en-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol.
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