Marrubic acid

Molecular Formula: C₂₀H₃₀O₅

InChI: InChI=1/C20H30O5/c1-13-11-15(21)16-18(2,17(22)23)7-4-8-19(16,3)20(13,24)9-5-14-6-10-25-12-14/h6,10,12-13,15-16,21,24H,4-5,7-9,11H2,1-3H3,(H,22,23)/t13-,15-,16+,18+,19+,20-/m1/s1/f/h22H

InChIKey: InChIKey=XNJHGRHUXRWGMG-POLDDISQDG
SMILES: CC1CC(C2C(CCCC2(C1(CCC3=COC=C3)O)C)(C)C(=O)O)O

Names:
    Marrubic acid
    NSC41312
    (1S,4aS,5R,6R,8R,8aR)-5-[2-(3-furyl)ethyl]-5,8-dihydroxy-1,4a,6-trimethyl-3,4,6,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
    564-12-5

Registries:
    PubChem CID 237620
    PubChem ID 96218