Aspidin

[a toxic active principle, C25H32O8, contained in aspidium.

Molecular Formula: C₂₅H₃₂O₈

InChI: InChI=1/C25H32O8/c1-7-9-15(26)17-20(29)13(19(28)12(3)22(17)33-6)11-14-21(30)18(16(27)10-8-2)24(32)25(4,5)23(14)31/h28-31H,7-11H2,1-6H3

InChIKey: InChIKey=PLGZOIJJUOHZJA-UHFFFAOYAD
SMILES: CCCC(=O)C1=C(C(=C(C(C1=O)(C)C)O)CC2=C(C(=C(C(=C2O)C)OC)C(=O)CCC)O)O

Names:
    Aspidin
    C10672
    2-butanoyl-4-[(3-butanoyl-2,6-dihydroxy-4-methoxy-5-methyl-phenyl)methyl]-3,5-dihydroxy-6,6-dimethyl-cyclohexa-2,4-dien-1-one
    584-28-1

Registries:
    PubChem CID 120290
    PubChem ID 12855