3beta-(Methylsulfanyl)cholest-5-ene
(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-methylsulfanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
Also Known As: 3-(methylsulfanyl)cholest-5-ene|3beta-(Methylsulfanyl)cholest-5-ene|(3beta)-3-(Methylthio)cholest-5-ene|(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylh|(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-methylsulfanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
| Molecular Formula | C28H48S |
|---|---|
| Molecular Weight | 416.3477 g/mol |
| LogP | 9.9 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.3477 |
| Monoisotopic Mass | 416.3477 |
| Heavy Atoms | 29 |
| Complexity | 605.0 |
Chemical Identifiers
| CAS Number | 911-39-7 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)SC)C)C |
| InChIKey | CSDNFDRMMGNTCT-PXBBAZSNSA-N |
Product Overview
3beta-(Methylsulfanyl)cholest-5-ene (CAS 911-39-7), with molecular formula C28H48S and molecular weight 416.3477 g/mol. IUPAC: (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-methylsulfanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene.