Colupulone

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

Colupulone (CAS 468-27-9) is a chemical reagent available from Chemat. Available pack sizes: 1mg, 5mg, on request. Offered by: GLPBio, Biosynth, Chemat Brand.

brandGLPBio
catalog numberGC49146-1
cas468-27-9
size1mg
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Available pack sizes

brand size price
GLPBio 1mg 1294.43 Pln
GLPBio 5mg 4823.53 Pln
Biosynth 1mg price on request
Chemat Brand on request price on request

properties

purityNo data
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

Also listed as

Phloroglucinol Impurity W Chemat Brand CAS 468-27-9
Colupulone, >95% (HPLC) TRC 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)