Colupulone, >95% (HPLC)

cas: 468-27-9 — see every product listed under this CAS number, including other names

Colupulone, >95% (HPLC) (CAS 468-27-9) is a chemical reagent available from Chemat. Available pack sizes: 25mg, 50mg, 5mg. Offered by: TRC.

brandTRC
catalog numberTRC-C214755-25MG
cas468-27-9
size25mg
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Available pack sizes

brand size price
TRC 25mg price on request
TRC 50mg price on request
TRC 5mg price on request

properties

purity>95% (HPLC)
delivery timeTo be confirmed by Chemat
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
(1S,4S,5S,6R,9S,10R,13R)-5,9-dimethyl-6-[(Z)-2-methylbut-2-enoyl]oxy-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid C25H36O4
3-[5-[2-[(1R,2R,4aS,8aS)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]ethyl]-3,6-dihydro-2H-pyran-2-yl]-2-hydroxy-2H-furan-5-one C25H36O4
[3-acetyloxy-2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylphenyl] acetate C25H36O4

Also listed as

Phloroglucinol Impurity W Chemat Brand CAS 468-27-9
Colupulone GLPBio CAS 468-27-9
β-Acids colupulone TargetMol CAS 468-27-9
Colupulone Chemat Brand CAS 468-27-9 (Isomer A), 21621-94-3 (Isomer B)