| 2D Structure | |
| CID | 5484202 |
| Target | / |
| IUPAC Name | (8S,9S,10R,13R,14S,17R)-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 |
| InChI | InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h18-21,24-27H,7-17H2,1-6H3/t20-,21-,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChI Key | RUVUHIUYGJBLGI-XJZKHKOHSA-N |
| Canonical SMILES | CCC(CCC(C)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)C(C)C |
| Isomeric SMILES | CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)C(C)C |
| Molecular Formula | C29H48O |
| Molecular Weight | 412.7 |
| synonyms | ['Sitostenone', 'Stigmast-4-en-3-one', '1058-61-3', '4-Stigmasten-3-one', 'beta-sitostenone', '67392-96-5', 'CHEBI:68105', '(8S,9S,10R,13R,14S,17R)-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', '24-Eceo', '24-Ethyl-4-cholesten-3-one', '?-Sitostenone', 'NSC 49082', '4-stigmasta-ene-3-one', '.DELTA.4-Sitosterol-3-one', 'CHEMBL66926', 'SCHEMBL873360', '3-oxo-24-ethyl-cholest-4-ene', 'DTXSID50862519', 'HY-N1238', 'Stigmast-4-en-3-one, (24xi)-', 'DA-67613', 'FS-10107', '24(R)-Stigmast-7,22 (E)-dien-3a-ol', 'CS-0016639', 'Q27136596', '4-Sitosterol-3-one; -Rosasterol oxide; -Sitost-4-en-3-one; -Sitostenone', '(8S,9S,10R,13R,14S,17R)-17-[(1R,4R)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one'] |
From Pubchem