Bruceoside A

Molecular Formula: C₃₂H₄₂O₁₆

InChI: InChI=1/C32H42O16/c1-11(2)6-17(34)48-23-25-31-10-44-32(25,29(42)43-5)26(40)22(39)24(31)30(4)8-14(18(35)12(3)13(30)7-16(31)47-27(23)41)45-28-21(38)20(37)19(36)15(9-33)46-28/h6,8,12-13,15-16,19-26,28,33,36-40H,7,9-10H2,1-5H3/t12-,13-,15+,16+,19+,20-,21+,22+,23+,24+,25+,26-,28+,30-,31+,32u/m0/s1

InChIKey: InChIKey=AKSGLPBROCFVSE-YAKGHHCZBZ
SMILES: CC1C2CC3C45COC(C4C(C(=O)O3)OC(=O)C=C(C)C)(C(C(C5C2(C=C(C1=O)OC6C(C(C(C(O6)CO)O)O)O)C)O)O)C(=O)OC

Names:
    Bruceoside A
    Picras-1-en-21-oic acid, 11,12-dihydroxy-3,16-dioxo-13,20-epoxy-2-(beta-D-glucopyranosyloxy)-15-((3-methyl-1-oxo-2-butenyl)oxy)-, methyl ester, (11-beta,12-alpha,15-beta)-
    63306-30-9

Registries:
    PubChem CID 72957
    PubChem ID 215200