Humulone

cas: 26472-41-3 — see every product listed under this CAS number, including other names

Humulone (CAS 26472-41-3) is a chemical reagent available from Chemat. Available pack sizes: on request, 10mg, 5mg, 25mg, 100mg, 50mg. Offered by: Chemat Brand, GLPBio, Biosynth.

brandChemat Brand
catalog numberULP249003
cas26472-41-3
sizeon request
availability Do potwierdzenia przez Chemat|To be confirmed by Chemat
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Available pack sizes

brand size price
Chemat Brand on request price on request
GLPBio 10mg 4837.57 Pln
GLPBio 5mg 3194.72 Pln
Biosynth 5mg price on request
Biosynth 10mg price on request
Biosynth 25mg price on request
Biosynth 100mg price on request
Biosynth 50mg price on request

properties

purityNo data
categoryChemicals
delivery timeTo be confirmed by Chemat
Structural formula: {0} (CAS {1})

Humulone is an optically active cyclic ketone consisting of 3,5,6-trihydroxycyclohexa-2,4-dien-1-one bearing two 3-methylbut-2-en-1-yl substituents at positions 4 and 6 as well as a 3-methylbutanoyl group at the 2-position. It has a role as an antioxidant, a metabolite, an antibacterial drug and a cyclooxygenase 2 inhibitor. It is a tertiary alpha-hydroxy ketone, a triol, a cyclic ketone, a diketone and an aromatic ketone.

Source: ChEBI

Identity
Molecular formulaC21H30O5
Molecular weight362.5 g/mol
IUPAC name(6R)-3,5,6-trihydroxy-2-(3-methylbutanoyl)-4,6-bis(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one
InChIKeyVMSLCPKYRPDHLN-OAQYLSRUSA-N
SMILESCC(C)CC(=O)C1=C(C(=C([C@@](C1=O)(CC=C(C)C)O)O)CC=C(C)C)O

Computed by PubChem (NCBI)

Synonyms: Humulone, alpha-Humulon, a-Humulon, alpha Bitter acid, (6R)-3,5,6-trihydroxy-2-(3-methylbutanoyl)-4,6-bis(3-methylbut-2-enyl)cyclo, 4-Cyclohexene-1,3-dione, 5,6-dihydroxy-4-isovaleryl-2,6-bis(3-methyl-2-butenyl)-, VMSLCPKYRPDHLN-OAQYLSRUSA-N, Humulon, Phloroglucinol Impurity T, alpha-Bitter acid
Related forms of this compound
3,5,6-trihydroxy-2-(3-methylbutanoyl)-4,6-bis(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one C21H30O5
Isomers (same molecular formula)
6,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one C21H30O5
(8S,9S,10R,11S,13R,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-13-(hydroxymethyl)-10-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one C21H30O5
3,4-dihydroxy-2-(2-methylbutanoyl)-5-(3-methylbut-2-enyl)-4-(4-methylpent-3-enoyl)cyclopent-2-en-1-one C21H30O5
(8S,10R,11S,13S)-9,11,12,12-tetradeuterio-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one C21H30O5
2-[[(8R,9S,10S,13S,14S,17S)-17-hydroxy-13-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-10-yl]methoxy]acetic acid C21H30O5
2-hydroxy-2-[(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]acetic acid C21H30O5
(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one C21H30O5
(8S,9S,10R,11S,13S,14S,17R)-17-[(1R)-1,2-dihydroxyethyl]-11,17-dihydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one C21H30O5
3,5,6-trihydroxy-2-(2-methylbutanoyl)-4,6-bis(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one C21H30O5
(8S,9S,10R,11S,13S,14S,17S)-17-(2,2-dihydroxyacetyl)-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one C21H30O5
(8S,9S,10R,11R,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one C21H30O5

Also listed as

Humulone, 98%, 98% Chemat CAS 26472-41-3
Humulone, 99.46% MedChemExpress CAS 26472-41-3