Description
Stigmasta-4,22,25-trien-3-one isolated from the herbs of Callicarpa giraldiana.
Synonyms
(22E)-Stigmasta-4,22,25-trien-3-one; (20R,22E)-Stigmasta-4,22,25-trien-3-one
IUPAC Name
(8S,9S,10R,13R,14S,17R)-17-[(2R,3E,5R)-5-ethyl-6-methylhepta-3,6-dien-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular Formula
C29H44O
Canonical SMILES
CCC(C=CC(C)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)C(=C)C
InChI
InChI=1S/C29H44O/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/h8-9,18,20-21,24-27H,2,7,10-17H2,1,3-6H3/b9-8+/t20-,21-,24+,25-,26+,27+,28+,29-/m1/s1