Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 2,3-Hexahydroxydiphenoyl-D-glucose
RN: 81905-83-1
InChIKey: WTKZYPVTAXZSEM-UHFFFAOYSA-N

Molecular Formula

  • C41-H28-O27

Molecular Weight

  • 952.645
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Results Name

  • 2,3-Hexahydroxydiphenoyl-D-glucose

Synonym

  • 2,3-Hexahydroxydiphenoyl-D-glucose

Systematic Name

  • beta-D-Glucopyranose, cyclic 3,6-(4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate) cyclic 2-9:4-1-(3,4,4a,9b-tetrahydro-4,4,4a,6,7-pentahydroxy-3-oxo-1,9-dibenzofurandicarboxylate) 1-(3,4,5-trihydroxybenzoate), stereoisomer

Registry Numbers

CAS Registry Number

  • 81905-83-1

System Generated Number

  • 0081905831

Structure Descriptors

InChI

1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)67-39-33-32-30(64-38(58)12-6-19(47)40(59,60)41(61)23(12)22-11(37(57)66-33)5-17(46)27(51)31(22)68-41)18(63-39)7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(36(56)65-32)4-16(45)26(50)29(21)53/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2

InChIKey

WTKZYPVTAXZSEM-UHFFFAOYSA-N

Smiles

c12c3c(c(c(O)cc3C(=O)OC[C@@H]3[C@@H]4[C@@H](OC(=O)c1cc(c(c2O)O)O)[C@@H](OC(=O)c1c2[C@@H]5C(=CC(C([C@@]5(Oc2c(O)c(O)c1)O)(O)O)=O)C(O4)=O)[C@@H](O3)OC(c1cc(c(c(c1)O)O)O)=O)O)O