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

InChIKey: InChIKey=NTBOLWMPXFGUHO-UHFFFAOYAJ
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:
    ISOBRUCEIN A
    NSC279503
    Picras-3-en-21-oic acid, 13,20-epoxy-1,11, 12-trihydroxy-15-(3-methyl-1-oxobutoxy)-2,16-dioxo-, methyl ester, (1.beta.,11.beta.,12.alpha.,15.beta.)-
    Picras-4-en-21-oic acid, 13,20-epoxy-1,11,12-trihydroxy-15-(3-methyl-1-oxobutoxy)-2, 16-dioxo-, methyl ester
    57629-50-2

Registries:
    PubChem CID 322357
    PubChem ID 142671