Epigallocatechin 3-O-(3-O-methyl)gallate structure

Epigallocatechin 3-O-(3-O-methyl)gallate

[(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4-dihydroxy-5-methoxybenzoate

Also Known As: (-)-EGCG-3''-O-Me|Egcg3''me|Epigallocatechin 3-O-(3-O-methyl)gallate|(-)-Epigallocatechin-3-(3''-O-methyl) gallate|EGCG3 Me|Epigallocatechin 3-methylgallate|Epicatechin 3 -methoxygallate|Epigallocatechin 3-O-(3-O-methylgallate)|3-O-Methylgalloyl epigallocatechin|HY-N2228|(-)-Epigallocatechin 3-O-(3-O-methylgallate)|Epigallocatechin (3-O-methyl)gallate|Epigallocatechin 3-O-(3-O-Methyl)-Gallate|TN1608|(-)-Epigallocatechin-3-O-(3'-O-methyl)-gallate|Epigallocatechin 3-(3-methyl-gallate)|FS-7488|(-)-Epigallocatechin 3-(3-methyl-gallate)|Epigallocatechin 3-(3-O-methylgallate)|3-O-(3-O-Methylgalloyl)epigallocatechin|Epigallocatechin 3-(3-O-methyl-gallate)|Epigallocatechin gallate 3 -methyl|(-)-Epigallocatechin 3-(3-O-methylgallate)|(-)-Epigallocatechin3-O-(3-O-methylgallate)|(-)-Epigallocatechin 3-O-(3-O-methyl)gallate|(-)-Epigallocatechin-3-O-(3-O-methyl)gallate

CAS: 83104-87-4
Molecular Formula C23H20O11
Molecular Weight 472.10056 g/mol
LogP 2.5362
Topological Polar Surface Area 186.37 Ų
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 11
Rotatable Bonds 4
Exact Mass 472.10056
Monoisotopic Mass 472.10056
Heavy Atoms 34
Complexity 1261.3885

Chemical Identifiers

CAS Number 83104-87-4
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

Product Overview

Epigallocatechin 3-O-(3-O-methyl)gallate (CAS 83104-87-4), with molecular formula C23H20O11 and molecular weight 472.10056 g/mol. IUPAC: [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4-dihydroxy-5-methoxybenzoate.

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