hyperforin

[1. Component of St. Johns wort (Hypericum perforatum).

Molecular Formula: C₃₅H₅₂O₄

InChI: InChI=1/C35H52O4/c1-22(2)13-12-19-33(11)27(16-14-23(3)4)21-34(20-18-25(7)8)30(37)28(17-15-24(5)6)31(38)35(33,32(34)39)29(36)26(9)10/h13-15,18,26-27,37H,12,16-17,19-21H2,1-11H3/t27-,33+,34+,35-/m0/s1

InChIKey: InChIKey=KGSZHKRKHXOAMG-HQKKAZOIBH
SMILES: CC(C)C(=O)C12C(=O)C(=C(C(C1=O)(CC(C2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)O)CC=C(C)C

Names:
    C07608
    hyperforin
    (1S,5S,7S,8R)-4-hydroxy-8-methyl-3,5,7-tris(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-1-(2-methylpropanoyl)bicyclo[3.3.1]non-3-ene-2,9-dione
    11079-53-1

Registries:
    PubChem CID 441298
    PubChem ID 9810