Bruceoside B

Molecular Formula: C32H42O16


InChI: InChI=1/C32H42O16/c1-11(2)6-17(35)47-23-25-31-10-44-32(25,29(42)43-5)26(40)21(39)24(31)30(4)8-14(34)22(12(3)13(30)7-16(31)46-27(23)41)48-28-20(38)19(37)18(36)15(9-33)45-28/h6,13,15-16,18-21,23-26,28,33,36-40H,7-10H2,1-5H3/t13-,15+,16+,18+,19+,20+,21+,23+,24+,25+,26-,28-,30-,31+,32u/m0/s1

InChIKey: InChIKey=JMEAKUYWADWLJX-MZTZJYSBBO
SMILES: CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C=C(C)C)(OC5)C(=O)OC)O)O)C)OC6C(C(C(C(O6)CO)O)O)O

Names:
    Bruceoside B
    Picras-3-en-21-oic acid, 11,12-dihydroxy-2,16-dioxo-13,20-epoxy-3-(beta-D-glucopyranosyloxy)-15-((3-methyl-1-oxo-2-butenyl)oxy)-, methyl ester, (11-beta,12-alpha,15-beta)-
    69687-69-0

Registries:
    PubChem CID 72953
    PubChem ID 215196