Beta-crocetin

cas: 25368-09-6 — see every product listed under this CAS number, including other names

Beta-crocetin (CAS 25368-09-6) is a chemical reagent available from Chemat. Available pack sizes: 5MG. Offered by: Sigma-Aldrich.

brandSigma-Aldrich
catalog numberPHL86281-5MG
cas25368-09-6
size5MG
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Sigma-Aldrich 5MG 2084.00 Pln
Structural formula: {0} (CAS {1})

16-methoxy-2,6,11,15-tetramethyl-16-oxohexadeca-2,4,6,8,10,12,14-heptaenoic acid (CAS 25368-09-6) is a chemical compound with the molecular formula C21H26O4 and a molecular weight of 342.4 g/mol. IUPAC name: 16-methoxy-2,6,11,15-tetramethyl-16-oxohexadeca-2,4,6,8,10,12,14-heptaenoic acid. InChIKey: DGGQUKOLHQXDLV-UHFFFAOYSA-N.

Identity
Molecular formulaC21H26O4
Molecular weight342.4 g/mol
IUPAC name16-methoxy-2,6,11,15-tetramethyl-16-oxohexadeca-2,4,6,8,10,12,14-heptaenoic acid
InChIKeyDGGQUKOLHQXDLV-UHFFFAOYSA-N
SMILESCC(=CC=CC=C(C)C=CC=C(C)C(=O)OC)C=CC=C(C)C(=O)O

Computed by PubChem (NCBI)

Synonyms: 16-methoxy-2,6,11,15-tetramethyl-16-oxohexadeca-2,4,6,8,10,12,14-heptaenoic acid, 8,8'-Diapo-|x,|x-carotene-8,8'-dioic acid 8-methyl ester
Isomers (same molecular formula)
(2E)-2-hydroxy-2-[(8S,9S,10R,11S,13S,14S)-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene]acetaldehyde C21H26O4
4-[4-(4-tert-butylphenyl)-2-hydroxybutoxy]benzoic acid C21H26O4
(8S,9S,10R,11S,13S,14S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-one C21H26O4
(8S,10S,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one C21H26O4
2-[(5-tert-butyl-2-methylphenyl)methoxymethyl]-6-methoxybenzoic acid C21H26O4
(8S,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione C21H26O4
(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-10,13-dimethylspiro[7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17,2'-oxetane]-3,3'-dione C21H26O4
(1S,2R,9S,11R,12S,13R)-6,11-dihydroxy-9,13-dimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,14,17-trien-16-one C21H26O4
1-(2,6-dihydroxyphenyl)-9-(4-hydroxyphenyl)nonan-1-one C21H26O4
[(8R,9S,13S,14S,17R)-3-methoxy-13-methyl-6-oxo-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-17-yl] acetate C21H26O4
(2Z)-2-hydroxy-2-[(8S,9S,10R,11S,13S,14S)-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene]acetaldehyde C21H26O4
(3bR,9bS)-9-hydroxy-6-methoxy-9b-methyl-7-propan-2-yl-3,3b,4,5,10,11-hexahydronaphtho[2,1-e][2]benzofuran-1-one C21H26O4

Also listed as

Crocetin monomethyl ester (Standard) MedChemExpress CAS 25368-09-6
Crocetin monomethyl ester, 98.44% MedChemExpress CAS 25368-09-6
Crocetin monomethyl ester, ≥98% Chemat CAS 25368-09-6