Products 130405-40-2

CAS 130405-40-2 appears in our catalog under these names: (-)-Catechin Gallate, >95% (HPLC), (-)-Catechin gallate/ 99.18% (existing batch purity), (–)–Catechin gallate ((–)–Catechin 3–gallate), (-)-Catechin gallate, (-)-Catechin gallate 98%. Offered by: TRC, TargetMol, GLPBio, Chemat, Biosynth. Available pack sizes: 10mg, 1mg, 25mg, 5mg, 50mg, 100mg, 10mM (in 1ml dmso), 250mg.

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 (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 formulaC22H18O10
Molecular weight442.4 g/mol
IUPAC name[(2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
InChIKeyLSHVYAFMTMFKBA-CTNGQTDRSA-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)