Marrubiin

Molecular Formula: C₂₀H₂₈O₄

InChI: InChI=1/C20H28O4/c1-13-11-15-16-18(2,17(21)24-15)7-4-8-19(16,3)20(13,22)9-5-14-6-10-23-12-14/h6,10,12-13,15-16,22H,4-5,7-9,11H2,1-3H3/t13-,15-,16+,18+,19+,20-/m1/s1

InChIKey: InChIKey=HQLLRHCTVDVUJB-OBHOOXMTBP
SMILES: CC1CC2C3C(CCCC3(C1(CCC4=COC=C4)O)C)(C(=O)O2)C

Names:
    C09128
    Marrubiin
    465-92-9

Registries:
    PubChem CID 73401
    PubChem ID 11320