Products 4233-96-9

CAS 4233-96-9 appears in our catalog under these names: (-)-Gallocatechin Gallate, (-)-Gallocatechin Gallate, >95% (HPLC), (–)–Gallocatechin gallate, (-)-Gallocatechin gallate/ 99.78% (existing batch purity), (-)-Gallocatechin gallate . Offered by: Chemat Brand, TRC, GLPBio, TargetMol, Thermo Scientific (Alfa Aesar). Available pack sizes: on request, 10mg, 25mg, 5mg, 20mg, 2mg, 50mg, 100mg.

(-)-gallocatechin gallate is a gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3R)-hydroxy group of ()-gallocatechin. A natural product found in found in green tea. It has a role as an EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor, an antineoplastic agent, a plant metabolite and a human xenobiotic metabolite. It is a catechin, a polyphenol and a gallate ester. It is functionally related to a gallic acid and a (-)-gallocatechin. It is an enantiomer of a (+)-gallocatechin gallate.

Source: ChEBI

Identity
Molecular formulaC22H18O11
Molecular weight458.4 g/mol
IUPAC name[(2S,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
InChIKeyWMBWREPUVVBILR-NQIIRXRSSA-N
SMILESC1[C@H]([C@@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O

Computed by PubChem (NCBI)