Products 98751-52-1

CAS 98751-52-1 is the registry number for Quercetin 3-Methyl Ether 7-Glucuronide. Offered by: Chemat Brand. Available pack sizes: on request.

Quercetin 3-Methyl Ether 7-Glucuronide
Chemat Brand
  • size: on request
  • Variants: 1
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Structural formula: {0} (CAS {1})

(2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-3-methoxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid (CAS 98751-52-1) is a chemical compound with the molecular formula C22H20O13 and a molecular weight of 492.4 g/mol. IUPAC name: (2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-3-methoxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid. InChIKey: JIDFZGSERZHTFO-NTKSAMNMSA-N.

Identity
Molecular formulaC22H20O13
Molecular weight492.4 g/mol
IUPAC name(2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-3-methoxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
InChIKeyJIDFZGSERZHTFO-NTKSAMNMSA-N
SMILESCOC1=C(OC2=CC(=CC(=C2C1=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C4=CC(=C(C=C4)O)O

Computed by PubChem (NCBI)

Synonyms: Quercetin 3-methyl ether 7-glucuronide
Isomers (same molecular formula)
3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-7-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracene-2-carboxylic acid C22H20O13
(2S,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid C22H20O13
3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-7-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracene-2-carboxylic acid C22H20O13