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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 16:11, 9 January 2012 (Saving copy of the {{chembox}} taken from revid 470070217 of page Epigallocatechin_gallate for the Chem/Drugbox validation project (updated: 'CASNo').). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

Revision as of 16:11, 9 January 2012 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 470070217 of page Epigallocatechin_gallate for the Chem/Drugbox validation project (updated: 'CASNo').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)
This page contains a copy of the infobox ({{chembox}}) taken from revid 470070217 of page Epigallocatechin_gallate with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names
IUPAC name 3,4,5-trihydroxybenzoate
Preferred IUPAC name (2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate
Other names (-)-Epigallocatechin gallate
Identifiers
3D model (JSmol)
ChEBI
ChEMBL
ChemSpider
MeSH Epigallocatechin+gallate
PubChem CID
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/s1Key: WMBWREPUVVBILR-WIYYLYMNSA-N
  • InChI=1/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/s1Key: WMBWREPUVVBILR-WIYYLYMNBM
SMILES
  • O=C(O2Cc3c(O2c1cc(O)c(O)c(O)c1)cc(O)cc3O)c4cc(O)c(O)c(O)c4
Properties
Chemical formula C22H18O11
Molar mass 458.372 g/mol
Appearance
Solubility in water soluble
Solubility soluble in ethanol, DMSO, dimethyl formamide at about 20 g/l
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). ☒N verify (what is  ?) Infobox references
Chemical compound
  1. ^ http://chemicalland21.com/lifescience/foco/%28-%29-EPIGALLOCATECHIN%20GALLATE.htm
  2. http://www.caymanchem.com/pdfs/70935.pdf