Madecassic acid

Molecular Formula: C30H48O6


InChI: InChI=1/C30H48O6/c1-16-9-10-30(25(35)36)12-11-28(5)18(22(30)17(16)2)7-8-21-26(3)13-20(33)24(34)27(4,15-31)23(26)19(32)14-29(21,28)6/h7,16-17,19-24,31-34H,8-15H2,1-6H3,(H,35,36)/t16-,17+,19-,20-,21-,22+,23-,24+,26-,27+,28-,29-,30+/m1/s1/f/h35H

InChIKey: InChIKey=PRAUVHZJPXOEIF-NOJDPPJIDL
SMILES: CC1CCC2(CCC3(C(=CCC4C3(CC(C5C4(CC(C(C5(C)CO)O)O)C)O)C)C2C1C)C)C(=O)O

Names:
    Brahmic acid
    Madecassic acid
    NSC 88135
    Urs-12-en-28-oic acid, 2,3,6,23-tetrahydroxy-, (2alpha,3beta,4alpha,6beta)-
    (1S,2R,4aS,6aR,6aS,6bR,8R,8aR,9S,10S,11R,12aS,14bR)-8,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
    125265-67-0
    18449-41-7

Registries:
    PubChem CID 73412
    PubChem ID 215661