ISOBRUCEIN A

Molecular Formula: C₂₆H₃₄O₁₁

InChI: InChI=1/C26H34O11/c1-10(2)6-15(28)37-17-19-25-9-35-26(19,23(33)34-5)21(31)16(29)18(25)24(4)12(8-14(25)36-22(17)32)11(3)7-13(27)20(24)30/h7,10,12,14,16-21,29-31H,6,8-9H2,1-5H3/t12-,14+,16+,17+,18+,19+,20+,21-,24-,25+,26-/m0/s1

InChIKey: InChIKey=NTBOLWMPXFGUHO-FTSLJJEMBV
SMILES: CC1=CC(=O)C(C2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)CC(C)C)(OC5)C(=O)OC)O)O)C)O

Names:
    C08769
    ISOBRUCEIN A
    57629-50-2

Registries:
    PubChem CID 441802
    PubChem ID 10962