Products 62268-42-2

CAS 62268-42-2 is the registry number for Apigenin 7-O-β-D-glucuronide ethyl ester. Offered by: MedChemExpress. Available pack sizes: Get quote.

Apigenin 7-O-β-D-glucuronide ethyl ester
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Structural formula: {0} (CAS {1})

(2S,3S,4S,5R)-6-[2-(2-ethyl-4-hydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid (CAS 62268-42-2) is a chemical compound with the molecular formula C23H22O11 and a molecular weight of 474.4 g/mol. IUPAC name: (2S,3S,4S,5R)-6-[2-(2-ethyl-4-hydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid. InChIKey: BKQIIWPJQUZEPQ-XURRJDJLSA-N.

Identity
Molecular formulaC23H22O11
Molecular weight474.4 g/mol
IUPAC name(2S,3S,4S,5R)-6-[2-(2-ethyl-4-hydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
InChIKeyBKQIIWPJQUZEPQ-XURRJDJLSA-N
SMILESCCC1=C(C=CC(=C1)O)C2=CC(=O)C3=C(C=C(C=C3O2)OC4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: Apigenin-7-O-glucuronide-6'-ethyl ester, Apigenin-7-O-glucuronide-6'-ethylester
Isomers (same molecular formula)
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl acetate C23H22O11
[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[7-hydroxy-4-(4-hydroxyphenyl)-2-oxochromen-5-yl]oxyoxan-2-yl]methyl acetate C23H22O11
[(2R,3S,4R,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-6-yl]-3,4,5-trihydroxyoxan-2-yl]methyl acetate C23H22O11
9-methoxy-7-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-[1,3]dioxolo[4,5-g]chromen-8-one C23H22O11
methyl (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-8-methoxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylate C23H22O11
methyl (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-6-methoxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylate C23H22O11
ethyl (2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylate C23H22O11

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