Coprostanone
(5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
Also Known As: 5beta-Cholestan-3-one|Coprostanone|Coprostan-3-one|5beta-cholestanone|5B-Cholestan-3-one|3-Oxocholestane|5beta Cholestanone|beta-cholestan-3-one|3-Keto-5beta-cholestane|5beta-Cholest-3-one|5-beta-Cholestan-3-one|3-COPROSTANONE|5-b-Cholestan-3-one|(5|A)-cholestan-3-one|A-Cholestan-3-one|(5b)-Coprostan-3-one|Cholestan-3-one, (5b)-|5.beta.-Cholestan-3-one|.BETA.-CHOLESTANONE|Cholestan-3-one, (5beta)-|5.BETA.-CHOLESTANONE|Cholestan-3-one, (5.beta.)-|EINECS 210-003-0|5.BETA.-COPROSTAN-3-ONE|KST-1A6570|(5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
| Molecular Formula | C27H46O |
|---|---|
| Molecular Weight | 386.35486 g/mol |
| LogP | 7.68 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 386.35486 |
| Heavy Atoms | 28 |
| Complexity | 578.8 |
Chemical Identifiers
| CAS Number | 601-53-6 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)C |
Product Overview
Coprostanone (CAS 601-53-6), with molecular formula C27H46O and molecular weight 386.35486 g/mol. IUPAC: (5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one.
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