Epigallocatechin gallate 3D structure

Epigallocatechin gallate (also called EGCG, Epigallocatechin-3-gallate) has the formula C22H18O11 and a molar mass of 458.4 g/mol. The model above is PubChem's computed 3D conformer: drag to rotate, scroll to zoom, and use the measurement tools to read bond lengths and angles.

Formula
C22H18O11
Molar mass
458.4 g/mol
PubChem CID
65064
Heavy atoms
33
Category
Natural products

Explore in 3D Space-filling model PubChem

Identifiers

IUPAC name[(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
SMILESC1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O
PubChem CID65064
Other namesEGCG, Epigallocatechin-3-gallate, Tea catechin, Teavigo, L-Epigallocatechin gallate

How to read the 3D model

Atoms use the standard CPK colors: carbon gray, hydrogen white, oxygen red, nitrogen blue, sulfur yellow. Switch to Spacefill to see the molecule's overall shape and size, or Stick for a clear view of the bonds. Click two atoms in distance mode to measure a bond length in ångströms.

3D coordinates are PubChem's computed conformer, one low-energy shape of the molecule. Flexible molecules can take many other shapes.

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