Cholane
(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-pentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
Also Known As: 5beta-cholane|cholane|5-beta-Cholane|(5beta)-Cholane|Cholane, 5-beta|Cholane [MI]|5beta(H)-Cholane|5?-Cholane|5|A-Cholane|5.BETA.-CHOLANE|Cholane, (5.beta.)-|CHOLANE, 5-.BETA.|[1,1'-Biphenyl]-4-ol,3,4'-dichloro|(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-pentan-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)-pentan-2-yl]-hexadecahydro-1H-cyclopenta[a]phenanthrene
| Molecular Formula | C24H42 |
|---|---|
| Molecular Weight | 330.32864 g/mol |
| LogP | 7.4716 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.32864 |
| Monoisotopic Mass | 330.32864 |
| Heavy Atoms | 24 |
| Complexity | 452.95465 |
Chemical Identifiers
| CAS Number | 548-98-1 |
|---|---|
| SMILES | CCC[C@@H](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
Cholane (CAS 548-98-1), with molecular formula C24H42 and molecular weight 330.32864 g/mol. IUPAC: (5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-pentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene.