Chethoxyrol
[(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-ethoxyacetate
Also Known As: Chethoxyrol|Diphenyltrifluorstibin|KST-1A6913|Cholest-5-en-3beta-yl ethoxyacetate|(3|A)-cholest-5-en-3-yl ethoxyacetate|[(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-ethoxyacetate|Acetic acid, 2-ethoxy-, (3beta,17R)-cholest-5-en-3-yl ester
| Molecular Formula | C31H52O3 |
|---|---|
| Molecular Weight | 472.39163 g/mol |
| LogP | 9.4 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 472.39163 |
| Monoisotopic Mass | 472.39163 |
| Heavy Atoms | 34 |
| Complexity | 741.0 |
Chemical Identifiers
| CAS Number | 6339-76-0 |
|---|---|
| SMILES | CCOCC(=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 | BCHGTUTUDPRCDT-GTPODGLVSA-N |
Product Overview
Chethoxyrol (CAS 6339-76-0), with molecular formula C31H52O3 and molecular weight 472.39163 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-ethoxyacetate.
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