Coprostane
(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
Also Known As: Coprostane|5beta-Cholestane|Pseudocholestane|beta-Cholestane|5b-Cholestane|Coprostane [MI]|5|A-cholestane|Koprostan|5betaCholestane|b-Cholestane|5.beta.-Cholestane|.beta.-Cholestane|Cholestane #|Cholestane, (5beta)-|(5beta)-cholestane|(5b)-Cholestane|5-beta-Cholestane|Cholestane (VAN)|Cholestane, (5.beta.)-|5-I(2)-cholestane|Cholestan-3b-yl acetate|HY-W127488|BETA, ALPHA, ALPHA 20R-CHOLESTANE|(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene|(1R,3aS,3bR,5aS,9aS,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-hexadecahydro-1H-cyclopenta[a]phenanthrene|(5beta)-Cholestane; (20R)-5beta(H),14alpha(H),17alpha(H)-Cholestane; Coprostane; Pseudocholestane; beta-Cholestane
| Molecular Formula | C27H48 |
|---|---|
| Molecular Weight | 372.3756 g/mol |
| LogP | 8.4978 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 5 |
| Exact Mass | 372.3756 |
| Monoisotopic Mass | 372.3756 |
| Heavy Atoms | 27 |
| Complexity | 506.1677 |
Chemical Identifiers
| CAS Number | 481-20-9 |
|---|---|
| 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(CCCC4)C)C |
Product Overview
Coprostane (CAS 481-20-9), with molecular formula C27H48 and molecular weight 372.3756 g/mol. IUPAC: (5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene.