ChemicalBook--->CAS DataBase List--->96400-45-2

96400-45-2

96400-45-2 Structure

96400-45-2 Structure
IdentificationBack Directory
[Name]

luteolin 7-diglucuronide
[CAS]

96400-45-2
[Synonyms]

luteolin 7-diglucuronide
2-(3,4-Dihydroxyphenyl)-5-hydroxy-4-oxo-4H-1-benzopyran-7-yl 2-O-β-D-glucopyranuronosyl-β-D-glucopyranosiduronic acid
β-D-Glucopyranosiduronic acid, 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-1-benzopyran-7-yl 2-O-β-D-glucopyranuronosyl-
[Molecular Formula]

C27H26O18
[MDL Number]

MFCD32061908
[MOL File]

96400-45-2.mol
[Molecular Weight]

638.48
Chemical PropertiesBack Directory
[Boiling point ]

1101.6±65.0 °C(Predicted)
[density ]

1.94±0.1 g/cm3(Predicted)
[form ]

Solid
[pka]

2.67±0.70(Predicted)
[color ]

Yellow to brown
[Major Application]

food and beverages
[InChIKey]

PBBVWJQPAZYQDB-DBFWEQBMSA-N
[SMILES]

O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1C(=O)O)O)O)O)O[C@H]2[C@@H](O[C@@H]([C@H]([C@@H]2O)O)C(=O)O)Oc3cc4[o]c(c[c](c4c(c3)O)=O)c5cc(c(cc5)O)O
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

food and beverages
[Definition]

ChEBI: 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 trihydroxyflavone, a glycosyloxyflavone, a dicarboxylic acid, a disaccharide derivative and a luteolin O-glucuronoside. It is a conjugate acid of a luteolin 7-O-[(beta-D-glucosiduronate)-(1->2)-(beta-D-glucosiduronate)].
Spectrum DetailBack Directory
[Spectrum Detail]

luteolin 7-diglucuronide(96400-45-2)1HNMR
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