Dihydrocholesterol
(3S,5S,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]phenanthren-3-ol
Also Known As: Dihydrocholesterol|(1S,2S,5S,7S,10R,11S,14S,15R)-2,15-dimethyl-14-[(2S)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-ol|(3S,5S,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]phenanthren-3-ol
| Molecular Formula | C27H48O |
|---|---|
| Molecular Weight | 388.3705 g/mol |
| LogP | 9.4 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 388.3705 |
| Monoisotopic Mass | 388.3705 |
| Heavy Atoms | 28 |
| Complexity | 540.0 |
Chemical Identifiers
| CAS Number | 360-68-9 |
|---|---|
| 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(CC[C@@H](C4)O)C)C |
| InChIKey | QYIXCDOBOSTCEI-OFCXPOQJSA-N |
Product Overview
Dihydrocholesterol (CAS 360-68-9), with molecular formula C27H48O and molecular weight 388.3705 g/mol. IUPAC: (3S,5S,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]phenanthren-3-ol.
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