Sitostenone
(8S,9S,10R,13R,14S)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Also Known As: Sitostenone|BETA-ROSASTEROL|Stigmast-4-en-3-one|4-Stigmasten-3-one|(17xi)-stigmast-4-en-3-one|KST-1A0743|(8S,9S,10R,13R,14S)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|(3aS,3bS,9aR,9bS,11aR)-1-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-7-one|(8S,9S,10R,13R,14S)-17-((2R,5R)-5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one
| Molecular Formula | C29H48O |
|---|---|
| Molecular Weight | 412.3705 g/mol |
| LogP | 9.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 412.3705 |
| Monoisotopic Mass | 412.3705 |
| Heavy Atoms | 30 |
| Complexity | 674.0 |
Chemical Identifiers
| CAS Number | 116232-63-4 |
|---|---|
| SMILES | CC[C@H](CC[C@@H](C)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)C(C)C |
| InChIKey | RUVUHIUYGJBLGI-VCVIHXEESA-N |
Product Overview
Sitostenone (CAS 116232-63-4), with molecular formula C29H48O and molecular weight 412.3705 g/mol. IUPAC: (8S,9S,10R,13R,14S)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one.