5beta-Cholane-3alpha,7alpha,12alpha,24-tetrol
(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-5-hydroxypentan-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: 5beta-Petromyzonol|5beta-Cholane-3alpha,7alpha,12alpha,24-tetrol|J1.252.269J|3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholane|(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-5-hydroxypentan-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|(3I+/-,5I(2),7I+/-,12I+/-)-Cholane-3,7,12,24-tetrol|"(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-((R)-5-hydroxypentan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol"|(1R,3aS,3bR,4R,5aS,7R,9aS,9bS,11S,11aR)-1-[(2R)-5-hydroxypentan-2-yl]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-4,7,11-triol
| Molecular Formula | C24H42O4 |
|---|---|
| Molecular Weight | 394.30832 g/mol |
| LogP | 3.3564 |
| Topological Polar Surface Area | 80.92 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.30832 |
| Monoisotopic Mass | 394.30832 |
| Heavy Atoms | 28 |
| Complexity | 566.8084 |
Chemical Identifiers
| CAS Number | 3758-71-2 |
|---|---|
| SMILES | C[C@H](CCCO)[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-Cholane-3alpha,7alpha,12alpha,24-tetrol (CAS 3758-71-2), with molecular formula C24H42O4 and molecular weight 394.30832 g/mol. IUPAC: (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-5-hydroxypentan-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.