Products 468-27-9

CAS 468-27-9 appears in our catalog under these names: Phloroglucinol Impurity W, Colupulone, >95% (HPLC), Colupulone, β-Acids colupulone. Offered by: Chemat Brand, TRC, GLPBio, TargetMol, Biosynth. Available pack sizes: on request, 25mg, 50mg, 5mg, 1mg, 1 mg, 5 mg, 10 mg.

Phloroglucinol Impurity W
Chemat Brand
  • size: on request
  • Variants: 1
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Colupulone, >95% (HPLC)
TRC
  • size: 25mg, 50mg, 5mg
  • Variants: 3
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Colupulone
GLPBio, Biosynth
  • size: 1mg, 5mg
  • Variants: 3
from 1294.43
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β-Acids colupulone
TargetMol, MedChemExpress
  • size: 1mg, 5mg, 1 mg, 5 mg
  • Variants: 5
from 2279.46
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Colupulone
Chemat Brand
  • size: on request
  • Variants: 1
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Structural formula: {0} (CAS {1})

Colupulone is a beta-bitter acid in which the acyl group is specified as isobutanoyl. It is a conjugate acid of a colupulone(1-).

Source: ChEBI

Identity
Molecular formulaC25H36O4
Molecular weight400.5 g/mol
IUPAC name3,5-dihydroxy-4,6,6-tris(3-methylbut-2-enyl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one
InChIKeyUNCDMWKTFLUPHZ-UHFFFAOYSA-N
SMILESCC(C)C(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)CC=C(C)C)O)CC=C(C)C)O

Computed by PubChem (NCBI)

Synonyms: Colupulone, co-lupulone, Phloroglucinol Impurity W, Colupulone A; Colupulone I, I-BUTYROLUPUPHENONE, Colupulone (stable DCHA salt), orb1944067, orb1991866, 3,5-dihydroxy-2-isobutyryl-4,6,6-tris(3-methyl-but-2-enyl)cyclohexa-2,4- dienone
Isomers (same molecular formula)
(1'R,2S,3S,3'S,4'R,5R,7'S,8'E,11'R)-4'-hydroxy-1',3,4'-trimethyl-5-(2-methylprop-1-enyl)-6'-oxospiro[oxolane-2,12'-tricyclo[9.3.0.03,7]tetradec-8-ene]-8'-carbaldehyde C25H36O4
2-(10-hydroxy-3,7,9,11-tetramethyltrideca-2,5,7,11-tetraenyl)-6-methoxy-3,5-dimethylpyran-4-one C25H36O4
7-[(Z)-2-[(1S,3aR,7aS)-7a-methyl-1-(2-methyl-1,3-dioxolan-2-yl)-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-8-methyl-1,4-dioxaspiro[4.5]dec-7-ene C25H36O4
[(8R,9S,10R,13S,14S,17R)-17-acetyl-3-ethoxy-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate C25H36O4
(9S,10R,13S,14R,17S)-10,13-dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)spiro[1,2,4,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane] C25H36O4
[(1S,3R,7S,8S,8aR)-3,7-dimethyl-8-[2-[(2R)-6-oxo-2,3-dihydropyran-2-yl]ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate C25H36O4
(9R,10S,13S,14R,17S)-10,13-dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)spiro[1,2,4,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane] C25H36O4
[(13S,17S)-17-acetyloxy-13,17-diethyl-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate C25H36O4
7-[(E)-2-[(1S,3aR,7aS)-7a-methyl-1-(2-methyl-1,3-dioxolan-2-yl)-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-8-methyl-1,4-dioxaspiro[4.5]dec-7-ene C25H36O4