(+)-Catechin 3-gallate

cas: 25615-05-8 — see every product listed under this CAS number, including other names

(+)-Catechin 3-gallate (CAS 25615-05-8) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

brandMedChemExpress
catalog numberHY-N16453-Get quote
cas25615-05-8
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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)

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