Products 20819-16-3

CAS 20819-16-3 is the registry number for (+/-)-CATECHIN-2,3,4-13C3 GALLATE, >= 9&. Offered by: Sigma-Aldrich. Available pack sizes: 1MG.

(+/-)-CATECHIN-2,3,4-13C3 GALLATE, >= 9&
Sigma-Aldrich
  • size: 1MG
  • Variants: 1
from 5565.00
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Structural formula: {0} (CAS {1})

(+)-catechin-3-O-gallate is a gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3S)-hydroxy group of (+)-catechin. It has a role as a metabolite. It is a polyphenol, a gallate ester and a member of flavans. It is functionally related to a (+)-catechin and a gallic acid. It is an enantiomer of a (-)-catechin-3-O-gallate.

Source: ChEBI

Identity
Molecular formulaC22H18O10
Molecular weight442.4 g/mol
IUPAC name[(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
InChIKeyLSHVYAFMTMFKBA-PZJWPPBQSA-N
SMILESC1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O

Computed by PubChem (NCBI)

Synonyms: (+)-Catechin 3-Gallate, Catechin gallate, (+)-, catechin gallate, (+)-Catechin gallate, catechin-3-o-gallate, Catechin 3-O-gallate, epicatechin-3-O-gallate, Epigallo Catechin Gallate, Catechin 3-gallate, XEG
Related forms of this compound
[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate C22H18O10
[(2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate C22H18O10
[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate C22H18O10
[(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate C22H18O10
Isomers (same molecular formula)
[(2S)-5-hydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-7-yl] 3,4,5-trihydroxybenzoate C22H18O10