Benzoic acid, 3,4,5-trihydroxy-, (2S,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester, 98%

cas: 130405-40-2 — see every product listed under this CAS number, including other names

Benzoic acid, 3,4,5-trihydroxy-, (2S,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester, 98% (CAS 130405-40-2) is a chemical reagent available from Chemat. Available pack sizes: 1mg, 5mg, 10mg, 25mg. Offered by: Fluorochem.

• 2D
• 3D

(-)-catechin-3-O-gallate is a gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3R)-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 gallic acid and a (-)-catechin. It is an enantiomer of a (+)-catechin-3-O-gallate.

Source: ChEBI

Identity

Molecular formula	C22H18O10
Molecular weight	442.4 g/mol
IUPAC name	[(2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
InChIKey	LSHVYAFMTMFKBA-CTNGQTDRSA-N
SMILES	C1[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 gallate, Catechin gallate, (-)-, ent-Catechin 3-O-gallate, (-)-Catechin 3-gallate, (-)-catechin 3-o-gallate, (-)-Catechin gallate(CG), (-)-CG, (?)-Catechin gallate, (-)-catechin-3-o-gallate, (-)-CATECHINGALLATE

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

[(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

[(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