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
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