5beta-Cholestan-3alpha,7alpha,12alpha,24,26,27-hexol
(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-5,7-dihydroxy-6-(hydroxymethyl)heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
Also Known As: Scymnol|5beta-Cholestane-3alpha,7alpha,12alpha,24,26,27-hexol|5beta-cholestan-3alpha,7alpha,12alpha,24,26,27-hexol|(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-5,7-dihydroxy-6-(hydroxymethyl)heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
| Molecular Formula | C27H48O6 |
|---|---|
| Molecular Weight | 468.3451 g/mol |
| LogP | 2.3258 |
| Topological Polar Surface Area | 121.38 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 468.3451 |
| Monoisotopic Mass | 468.3451 |
| Heavy Atoms | 33 |
| Complexity | 668.997 |
Chemical Identifiers
| CAS Number | 6785-34-8 |
|---|---|
| SMILES | C[C@H](CCC(C(CO)CO)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C |
Product Overview
5beta-Cholestan-3alpha,7alpha,12alpha,24,26,27-hexol (CAS 6785-34-8), with molecular formula C27H48O6 and molecular weight 468.3451 g/mol. IUPAC: (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-5,7-dihydroxy-6-(hydroxymethyl)heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol.
5beta-Cholestan-3alpha,7alpha,12alpha,24,26,27-hexol is a custom synthesis product. We offer services from milligram to kilogram scale.
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