Products 96400-45-2

CAS 96400-45-2 appears in our catalog under these names: Luteolin Impurity 1, Luteolin 7-diglucuronide/ 98.44% (existing batch purity), Luteolin 7–diglucuronide, Luteolin-7-diglucuronid, Luteolin 7-diglucuronide 95%. Offered by: Chemat Brand, TargetMol, GLPBio, Biosynth, Ambeed. Available pack sizes: on request, 1mg, 5mg, 10mg, 25mg, 50mg, 2mg, 20mg.

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

Luteolin-7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide] is the glycosyloxyflavone resulting from the condensation of the hydroxy group at position 7 of luteolin with the 1 position of 2-O-beta-D-glucopyranuronosyl-beta-D-glucopyranosiduronic acid. It is a luteolin O-glucuronoside, a trihydroxyflavone, a dicarboxylic acid, a glycosyloxyflavone and a disaccharide derivative. It is a conjugate acid of a luteolin 7-O-[(beta-D-glucosiduronate)-(1->2)-(beta-D-glucosiduronate)].

Source: ChEBI

Identity
Molecular formulaC27H26O18
Molecular weight638.5 g/mol
IUPAC name(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-6-carboxy-2-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
InChIKeyPBBVWJQPAZYQDB-DBFWEQBMSA-N
SMILESC1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)O)O)O

Computed by PubChem (NCBI)