(-)-Epigallocatechin 3-(3''-O-methly) gallate

Catalog	BBC83104874
CAS	83104-87-4
Structure
Synonyms	3,4-Dihydroxy-5-methoxybenzoic acid (2R,3R)-3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl ester
IUPAC Name	[(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4-dihydroxy-5-methoxybenzoate
Molecular Weight	472.4
Molecular Formula	C23H20O11
Canonical SMILES	COC1=CC(=CC(=C1O)O)C(=O)O[C@@H]2CC3=C(C=C(C=C3O[C@@H]2C4=CC(=C(C(=C4)O)O)O)O)O
InChI	InChI=1S/C23H20O11/c1-32-18-5-10(4-16(28)21(18)30)23(31)34-19-8-12-13(25)6-11(24)7-17(12)33-22(19)9-2-14(26)20(29)15(27)3-9/h2-7,19,22,24-30H,8H2,1H3/t19-,22-/m1/s1
InChI Key	WVRDOLPMKOCJRJ-DENIHFKCSA-N
Boiling Point	856.1±65.0 °C
Melting Point	221-223 °C
Purity	98%
Density	1.77 g/ml
Appearance	Solid
pKa	7.92±0.25