Cholesta-5,7-dien-3beta-yl acetate
[(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Also Known As: 7-Dehydrocholesterol acetate|7-Dehydrocholesteryl acetate|3beta-Acetoxychoesta-5,7-diene|Vitamin D3 Impurity 21|Cholesta-5,7-dien-3beta-yl acetate|7-Dehydrocholesterolacetate|Cholesta-5,7-dien-3beta-ol acetate|Cholest-5,7-dien-3beta-yl acetate|EINECS 213-896-5|Cholesta-5,7-dien-3-beta-yl acetate|7,8-Didehydrocholesterol acetate|3beta-Acetoxy-5,7-cholestadiene|Cholesta-5,7-dien-3-yl acetate|3.beta.-Acetoxychoesta-5,7-diene|Cholesta-5,7-dien-3beta-ol, acetate|Cholesta-5,7-dien-3-beta-ol, acetate|Cholesta-5,7-dien-3-ol, acetate, (3beta)|Cholesta-5,7-dien-3.beta.-ol, acetate|Cholest-5,7-dien-3.beta.-yl acetate|Cholesta-5,7-dien-3.beta.-yl acetate|Cholesta-5,7-dien-3-ol, acetate, (3-beta)|Cholesta-5,7-dien-3-ol, acetate, (3beta)-|Cholesta-5,7-dien-3-ol, acetate, (3.beta.)-|4-06-00-04153 (Beilstein Handbook Reference)|Acetic acid cholesta-5,7-diene-3beta-yl ester|Cholesta-5,7-dien-3-beta-ol, acetate (8CI)|Cholesta-5,7-dien-3-yl acetate, (3.beta.)-|(3S,9S,10R,13R,14R,17R)-10,13-Dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate|(1R,3aR,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl acetate|[(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate|(1R,3aR,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-7-yl acetate|[(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]acetate
| Molecular Formula | C29H46O2 |
|---|---|
| Molecular Weight | 426.3498 g/mol |
| LogP | 7.88 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 426.3498 |
| Heavy Atoms | 31 |
| Complexity | 745.8 |
Chemical Identifiers
| CAS Number | 1059-86-5 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C |
Product Overview
Cholesta-5,7-dien-3beta-yl acetate (CAS 1059-86-5), with molecular formula C29H46O2 and molecular weight 426.3498 g/mol. IUPAC: [(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate.
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