3,5,14-Trihydroxycholest-7-en-6-one
(3S,5S,9R,10R,13R,17R)-3,5,14-trihydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one
Also Known As: Triol I|Fad semiquinone|flavin semiquinone|Riboflavin semiquinone|Riboflavine semiquinone|3,5,14-Trihydroxycholest-7-en-6-one|KST-1A4189|KST-1A4190|(3|A,5|A,14xi)-3,5,14-trihydroxycholest-7-en-6-one|3beta,5beta,14alpha-Trihydroxy-5beta-cholest-7-en-6-one|(3S,5S,9R,10R,13R,17R)-3,5,14-trihydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one|Cholest-7-en-6-one, 3,5,14-trihydroxy-, (3beta,5beta)-
| Molecular Formula | C27H44O4 |
|---|---|
| Molecular Weight | 432.32397 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 432.32397 |
| Monoisotopic Mass | 432.32397 |
| Heavy Atoms | 31 |
| Complexity | 758.0 |
Chemical Identifiers
| CAS Number | 3591-94-4 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CCC2([C@@]1(CC[C@H]3C2=CC(=O)[C@]4([C@@]3(CC[C@@H](C4)O)C)O)C)O |
| InChIKey | QBBDFCFQBGMQAR-JGCYWCJJSA-N |
Product Overview
3,5,14-Trihydroxycholest-7-en-6-one (CAS 3591-94-4), with molecular formula C27H44O4 and molecular weight 432.32397 g/mol. IUPAC: (3S,5S,9R,10R,13R,17R)-3,5,14-trihydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one.
3,5,14-Trihydroxycholest-7-en-6-one is a custom synthesis product. We offer services from milligram to kilogram scale.
Request a Quote »