Products 25269-20-9

CAS 25269-20-9 is the registry number for Isocohumulone. Offered by: Chemat Brand. Available pack sizes: on request.

Isocohumulone
Chemat Brand
  • size: on request
  • Variants: 1
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Structural formula: {0} (CAS {1})

3,4-dihydroxy-5-(3-methylbut-2-enyl)-4-(4-methylpent-3-enoyl)-2-(2-methylpropanoyl)cyclopent-2-en-1-one (CAS 25269-20-9) is a chemical compound with the molecular formula C20H28O5 and a molecular weight of 348.4 g/mol. IUPAC name: 3,4-dihydroxy-5-(3-methylbut-2-enyl)-4-(4-methylpent-3-enoyl)-2-(2-methylpropanoyl)cyclopent-2-en-1-one. InChIKey: KKXFYHZSOIALRM-UHFFFAOYSA-N.

Identity
Molecular formulaC20H28O5
Molecular weight348.4 g/mol
IUPAC name3,4-dihydroxy-5-(3-methylbut-2-enyl)-4-(4-methylpent-3-enoyl)-2-(2-methylpropanoyl)cyclopent-2-en-1-one
InChIKeyKKXFYHZSOIALRM-UHFFFAOYSA-N
SMILESCC(C)C(=O)C1=C(C(C(C1=O)CC=C(C)C)(C(=O)CC=C(C)C)O)O

Computed by PubChem (NCBI)

Synonyms: Isocohumulone, KKXFYHZSOIALRM-UHFFFAOYSA-N
Isomers (same molecular formula)
(1S,4S,5R,6R,9S,10R,12R,14R)-4,5,6-trihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyltetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dien-15-one C20H28O5
3,5,6-trihydroxy-4,6-bis(3-methylbut-2-enyl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one C20H28O5
(1S,2S,3S,4R,8S,9S,12S)-12-hydroxy-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid C20H28O5
(1S,2S,3S,4R,8S,9S,12S)-13-(dideuteriomethylidene)-12-hydroxy-4,8-dimethyltetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid C20H28O5
(1R,2S,3S,4S,5S,8S,9S,12R)-5-hydroxy-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid C20H28O5
(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid C20H28O5