Products 58050-17-2

CAS 58050-17-2 appears in our catalog under these names: Crocin E, Crocetin β–D–glucopyranoside, Crocetin β-D-glucopyranoside, Crocetin β-D-glucopyranoside, 98.59%. Offered by: Chemat Brand, GLPBio, Biosynth, MedChemExpress. Available pack sizes: on request, 1mg, 5mg, 25mg, 10mg, 50mg, 1 mg, 5 mg.

Structural formula: {0} (CAS {1})

Beta-D-glucosyl crocetin is a dicarboxylic acid monoester resulting from the formal condensation of one of the carboxylic acid groups of crocetin with the anomeric hydroxy group of beta-D-glucopyranose. It is a beta-D-glucoside and a dicarboxylic acid monoester. It is functionally related to a beta-D-glucose and a crocetin. It is a conjugate acid of a beta-D-glucosyl crocetin(1-).

Source: ChEBI

Identity
Molecular formulaC26H34O9
Molecular weight490.5 g/mol
IUPAC name(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethyl-16-oxo-16-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadeca-2,4,6,8,10,12,14-heptaenoic acid
InChIKeyZVGODNZUEWDIPM-YXRLTKITSA-N
SMILESC/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/C=C/C=C(\C)/C(=O)O

Computed by PubChem (NCBI)