Products 249938-52-1

CAS 249938-52-1 is the registry number for Kaempferol 7-glucuronide. Offered by: TRC. Available pack sizes: 100mg.

Kaempferol 7-glucuronide
TRC
  • size: 100mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

Kaempferol 7-O-glucuronide is a kaempferol O-glucuronide that is kaempferol with a beta-D-glucosiduronic acid residue attached at the 7-position. It has a role as a metabolite. It is a trihydroxyflavone and a kaempferol O-glucuronide.

Source: ChEBI

Identity
Molecular formulaC21H18O12
Molecular weight462.4 g/mol
IUPAC name(2S,3S,4S,5R,6S)-6-[3,5-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
InChIKeyHKMMHEQNCQNUNN-JENRNSKYSA-N
SMILESC1=CC(=CC=C1C2=C(C(=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)O)O)O

Computed by PubChem (NCBI)

Synonyms: Kaempferol 7-glucuronide, kaempferol 7-O-glucuronide, kaempferol-7-O-glucuronide, Kaempferol 7-O-beta-D-glucuronide (5), kaempferol 7-O-beta-D-glucoronopyranoside, kaempferol 7-O-beta-D-glucopyranosiduronic acid
Isomers (same molecular formula)
(2S,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid C21H18O12
(2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid C21H18O12
(2S,3S,4S,5R,6S)-6-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid C21H18O12