(-)-Epigallocatechin Gallate

CAS	989-51-5
Structure
Synonyms	Epigallocatechin-3-monogallate
IUPAC Name	[(2R,3R)-5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-chromen-3-yl] 3,4,5-trihydroxybenzoate
Molecular Weight	458.37
Molecular Formula	C22H18O11
Canonical SMILES	C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O
InChI	InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
InChI Key	WMBWREPUVVBILR-WIYYLYMNSA-N
Boiling Point	909.1±65.0 °C
Melting Point	222-224 °C
Purity	98%
Density	1.90±0.1 g/cm³
Refractive Index	-175.5 ° (C=1, EtOH)
pKa	7.75±0.25(Predicted)
Appearance	White to light brown solid