Cholest-5-en-3-ol (3beta)-, 3-(2-ethylhexanoate)
[(3S,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-yl] 2-ethylhexanoate
Also Known As: Cholesteryl 2-ethylhexanoate|Cholest-5-en-3beta-yl 2-ethylhexanoate|CHOLESTERYL2-ETHYLHEXANOATE|Cholest-5-en-3-ol (3beta)-, 2-ethylhexanoate|2,3-Dimethyl-4-methoxyphenylacetonitrile|Cholest-5-en-3-ol (3beta)-, 3-(2-ethylhexanoate)|2-Ethylhexanoic acid cholest-5-en-3beta-yl ester|Cholest-5-en-3-ol (3.beta.)-, 2-ethylhexanoate|[(3S,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-yl] 2-ethylhexanoate|2-Ethylhexanoic acid cholesta-5-ene-3beta-yl ester|5-CHOLESTEN-3BETA-OL 3-(2'-ETHYLHEXANOATE)|Cholest-5-en-3-ol (3.beta.)-, 3-(2-ethylhexanoate)|(1R,3aS,3bS,7S,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-yl 2-ethylhexanoate
| Molecular Formula | C35H60O2 |
|---|---|
| Molecular Weight | 512.45935 g/mol |
| LogP | 12.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 512.45935 |
| Monoisotopic Mass | 512.45935 |
| Heavy Atoms | 37 |
| Complexity | 797.0 |
Chemical Identifiers
| CAS Number | 41329-01-5 |
|---|---|
| SMILES | CCCCC(CC)C(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C |
| InChIKey | MOWZDRPKXFFKDM-MTYNKIQNSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cholest-5-en-3-ol (3beta)-, 3-(2-ethylhexanoate) (CAS 41329-01-5), with molecular formula C35H60O2 and molecular weight 512.45935 g/mol. IUPAC: [(3S,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-yl] 2-ethylhexanoate.