1-O-Galloyl-2-O-cinnamoylglucose

cas: 56994-83-3 — see every product listed under this CAS number, including other names

1-O-Galloyl-2-O-cinnamoylglucose (CAS 56994-83-3) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

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catalog numberRG-G010101
cas56994-83-3
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Structural formula: {0} (CAS {1})

[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl] 3,4,5-trihydroxybenzoate (CAS 56994-83-3) is a chemical compound with the molecular formula C22H22O11 and a molecular weight of 462.4 g/mol. IUPAC name: [(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl] 3,4,5-trihydroxybenzoate. InChIKey: FISMJUPMCGKNNX-PCGJYRBUSA-N.

Identity
Molecular formulaC22H22O11
Molecular weight462.4 g/mol
IUPAC name[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl] 3,4,5-trihydroxybenzoate
InChIKeyFISMJUPMCGKNNX-PCGJYRBUSA-N
SMILESC1=CC=C(C=C1)/C=C/C(=O)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC(=O)C3=CC(=C(C(=C3)O)O)O)CO)O)O

Computed by PubChem (NCBI)

Synonyms: 2-Cinnamoyl-1-galloylglucose, 1-O-Galloyl-2-O-cinnamoyl-glucose, 1-O-Galloyl-2-O-cinnamoylglucose, 1-O-galloyl-2-O-cinnamoyl-beta-d-glucose, 2-O-cinnamoyl-1-O-galloy-beta-D-glucose, 2-O-cinnamoyl-1-O-galloyl-|?-D-glucose, 2-O-cinnamoyl-1-O-galloyl-beta-D-glucopyranoside, |?-D-Glucopyranose, 2-(3-phenyl-2-propenoate) 1-(3,4,5-trihydroxybenzoate)
Related forms of this compound
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(3-phenylprop-2-enoyloxy)oxan-2-yl] 3,4,5-trihydroxybenzoate C22H22O11
Isomers (same molecular formula)
5-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one C22H22O11
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one C22H22O11
4-(3,4-dihydroxyphenyl)-7-methoxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one C22H22O11
4-(3,4-dihydroxyphenyl)-7-methoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one C22H22O11
methyl (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2S)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]oxane-2-carboxylate C22H22O11
5,7-dihydroxy-6-methoxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one C22H22O11
5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one C22H22O11
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one C22H22O11
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one C22H22O11
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-phenylprop-2-enoyl]oxymethyl]oxan-2-yl] 3,4,5-trihydroxybenzoate C22H22O11
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one C22H22O11

Also listed as

2-Cinnamoyl-1-galloylglucose Biosynth CAS 56994-83-3