5-(beta-D-Glucopyranosyloxy)-7-methoxy-4-(2,4,5-trihydroxyphenyl)-2H-1-benzopyran-2-one

cas: 120931-58-0 — see every product listed under this CAS number, including other names

5-(beta-D-Glucopyranosyloxy)-7-methoxy-4-(2,4,5-trihydroxyphenyl)-2H-1-benzopyran-2-one (CAS 120931-58-0) is a chemical reagent available from Chemat. Available pack sizes: 250mg. Offered by: TRC.

brandTRC
catalog numberTRC-G596605-250MG
cas120931-58-0
size250mg
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properties

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Structural formula: {0} (CAS {1})

7-methoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-(2,4,5-trihydroxyphenyl)chromen-2-one (CAS 120931-58-0) is a chemical compound with the molecular formula C22H22O12 and a molecular weight of 478.4 g/mol. IUPAC name: 7-methoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-(2,4,5-trihydroxyphenyl)chromen-2-one. InChIKey: LKCRMORFQZVSHE-RECXWPGBSA-N.

Identity
Molecular formulaC22H22O12
Molecular weight478.4 g/mol
IUPAC name7-methoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-(2,4,5-trihydroxyphenyl)chromen-2-one
InChIKeyLKCRMORFQZVSHE-RECXWPGBSA-N
SMILESCOC1=CC2=C(C(=CC(=O)O2)C3=CC(=C(C=C3O)O)O)C(=C1)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O

Computed by PubChem (NCBI)

Isomers (same molecular formula)
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one C22H22O12
(2S,3S,4S,5R,6S)-6-[5-(5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid C22H22O12
(2S,3S,4S,5R,6S)-6-[5-[(2R)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid C22H22O12
methyl (2R,3R,4R,5S,6R)-3,4,5-triacetyloxy-6-(2-oxochromen-7-yl)oxyoxane-2-carboxylate C22H22O12
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one C22H22O12
methyl (2S,3S,4S,5R,6S)-6-[[(2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-2,3-dihydrochromen-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylate C22H22O12
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one C22H22O12
2-(3,4-dihydroxyphenyl)-5-hydroxy-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one C22H22O12
2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one C22H22O12
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one C22H22O12
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one C22H22O12
3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one C22H22O12