humulone

Molecular Formula: C₂₁H₃₀O₅

InChI: InChI=1/C21H30O5/c1-12(2)7-8-15-18(23)17(16(22)11-14(5)6)20(25)21(26,19(15)24)10-9-13(3)4/h7,9,14,23-24,26H,8,10-11H2,1-6H3/t21-/m1/s1

InChIKey: InChIKey=VMSLCPKYRPDHLN-OAQYLSRUBL
SMILES: CC(C)CC(=O)C1=C(O)C(C\C=C(\C)C)=C(O)[C@](O)(C\C=C(\C)C)C1=O

CAS number 23510-81-8

Names:
    Humulone
    humulon
    Humulone
    humulone
    α-humulon
    (6R)-3,5,6-trihydroxy-2-isovaleryl-4,6-bis(3-methylbut-2-enyl)cyclohexa-2,4-dienone
    (6R)-3,5,6-trihydroxy-2-(3-methylbutanoyl)-4,6-bis(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one

Registries:
    PubChem CID 442911
    Beilstein =3221160
    CAS 23510-81-8 (from NIST)
    CAS 26472-41-3 (from NIST)
    ChEBI 5769
    Kegg C10695
    PubChem ID 10299148
    PubChem ID 12878