Products 51771-57-4

CAS 51771-57-4 is the registry number for Apigenin 4'-O-beta-D-Glucuronide. Offered by: TRC. Available pack sizes: 50mg.

Apigenin 4'-O-beta-D-Glucuronide
TRC
  • size: 50mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

(2S,3S,4S,5R,6S)-6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CAS 51771-57-4) is a chemical compound with the molecular formula C21H18O11 and a molecular weight of 446.4 g/mol. IUPAC name: (2S,3S,4S,5R,6S)-6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid. InChIKey: NKRGFKAFZUDVES-ZFORQUDYSA-N.

Identity
Molecular formulaC21H18O11
Molecular weight446.4 g/mol
IUPAC name(2S,3S,4S,5R,6S)-6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
InChIKeyNKRGFKAFZUDVES-ZFORQUDYSA-N
SMILESC1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: Apigenin 4'-O-?-D-Glucuronide, Apigenin 4'-glucuronide, Apigenin4'-O-beta-D-Glucuronide
Isomers (same molecular formula)
(2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid C21H18O11
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid C21H18O11
(2S,3S,4S,5R,6S)-6-[4-(5,7-dihydroxy-4-oxochromen-3-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid C21H18O11
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid C21H18O11