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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 15:47, 16 February 2012 (Saving copy of the {{chembox}} taken from revid 456495384 of page 1,2,3,4,6-Pentagalloyl_glucose 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 15:47, 16 February 2012 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 456495384 of page 1,2,3,4,6-Pentagalloyl_glucose 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 456495384 of page 1,2,3,4,6-Pentagalloyl_glucose with values updated to verified values.
1,2,3,4,6-Pentagalloyl glucose
Chemical structure of pentagalloyl glucose
Chemical structure of pentagalloyl glucose
Names
IUPAC name -6-oxan-4-yl] 3,4,5-trihydroxybenzoate
Other names 1,2,3,4,6-penta-O-galloyl-β-D-glucose
1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose
beta-penta-O-galloyl-glucose
PGG
Identifiers
3D model (JSmol)
ChEBI
ChEMBL
ChemSpider
PubChem CID
InChI
  • InChI=1S/C41H32O26/c42-17-1-12(2-18(43)28(17)52)36(57)62-11-27-33(64-37(58)13-3-19(44)29(53)20(45)4-13)34(65-38(59)14-5-21(46)30(54)22(47)6-14)35(66-39(60)15-7-23(48)31(55)24(49)8-15)41(63-27)67-40(61)16-9-25(50)32(56)26(51)10-16/h1-10,27,33-35,41-56H,11H2/t27-,33-,34+,35-,41+/m1/s1Key: QJYNZEYHSMRWBK-NIKIMHBISA-N
SMILES
  • C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O
Properties
Chemical formula C41H32O26
Molar mass 940.67 g/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). ☒verify (what is  ?) Infobox references
Tracking categories (test):
Chemical compound
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