.Cholestane
(5R,8R,9S,10S,13R,14S,17S)-10,13-dimethyl-17-[(2S)-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: Cholestane|.cholestane|Cholestane (VAN)|EINECS 239-062-0|C27-H48|CC12CCC3C(CCC4CCCCC34C)C1CCC2C(C)CCCC(C)C|(5R,8R,9S,10S,13R,14S,17S)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
| Molecular Formula | C27H48 |
|---|---|
| Molecular Weight | 372.3756 g/mol |
| LogP | 11.1 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 5 |
| Exact Mass | 372.3756 |
| Monoisotopic Mass | 372.3756 |
| Heavy Atoms | 27 |
| Complexity | 506.0 |
Chemical Identifiers
| CAS Number | 14982-53-7 |
|---|---|
| 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 |
| InChIKey | XIIAYQZJNBULGD-LUWBJXLVSA-N |
Product Overview
.Cholestane (CAS 14982-53-7), with molecular formula C27H48 and molecular weight 372.3756 g/mol. IUPAC: (5R,8R,9S,10S,13R,14S,17S)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene.
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