Products 73086-04-1

CAS 73086-04-1 appears in our catalog under these names: Procyanidin B2 3'-gallate, Procyanidin B2 3''–O–gallate, Procyanidin B2 3''-O-gallate, Procyanidin B 2 3'-O-gallate, ≥98%, ≥98%, Procyanidin B2 3′-O-gallate, 98.27%. Offered by: TRC, GLPBio, TargetMol, Chemat, MedChemExpress. Available pack sizes: 100mg, 5mg, 1mg, 1 mg.

Structural formula: {0} (CAS {1})

Procyanidin B2 3'-O-gallate is a gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3'R)-hydroxy group of procyanidin B2. It has a role as an antioxidant and a metabolite. It is a polyphenol, a proanthocyanidin, a gallate ester and a biflavonoid. It is functionally related to a gallic acid and a procyanidin B2.

Source: ChEBI

Identity
Molecular formulaC37H30O16
Molecular weight730.6 g/mol
IUPAC name[(2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
InChIKeyVLFKNLZNDSEVBZ-BTWXELLASA-N
SMILESC1[C@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O

Computed by PubChem (NCBI)