(-)-Epicatechin-3-(3''-O-Methyl) Gallate

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Catalog Number ACM83104863-1
Product Name (-)-Epicatechin-3-(3''-O-Methyl) Gallate
CAS Number 83104-86-3
Structure (-)-Epicatechin-3-(3''-O-Methyl) Gallate
IUPAC Name [(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4-dihydroxy-5-methoxybenzoate
Molecular Weight 456.4
Molecular Formula C23H20O10
Canonical SMILES COC1=CC(=CC(=C1O)O)C(=O)OC2CC3=C(C=C(C=C3OC2C4=CC(=C(C=C4)O)O)O)O
Inchi InChI=1S/C23H20O10/c1-31-19-6-11(5-17(28)21(19)29)23(30)33-20-9-13-15(26)7-12(24)8-18(13)32-22(20)10-2-3-14(25)16(27)4-10/h2-8,20,22,24-29H,9H2,1H3/t20-,22-/m1/s1
InChIKey XGTBMCGGGJLOPS-IFMALSPDSA-N
Purity 98%
Appearance Powder

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