Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1,2,4-Tri-O-galloyl-3,6-hexahydroxydiphenoylglucose
RN: 88847-11-4
InChIKey: DPBVYZVSXAZMAY-UUUCSUBKSA-N

Molecular Formula

  • C41-H30-O26

Molecular Weight

  • 938.662
 
* 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

Name of Substance

  • 1,2,4-Tri-O-galloyl-3,6-hexahydroxydiphenoylglucose

Synonym

  • Punicafolin

Systematic Name

  • beta-D-Glucopyranose, cyclic 3,6-(4,4',5,5',6,6')-hexahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate) 1,2,4-tris(3,4,5-trihydroxybenzoate), (R)-

Registry Numbers

CAS Registry Number

  • 88847-11-4

System Generated Number

  • 0088847114

Structure Descriptors

InChI

1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)64-33-23-9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(8-22(49)30(54)32(25)56)40(61)65-34(33)35(66-37(58)11-3-17(44)27(51)18(45)4-11)41(63-23)67-38(59)12-5-19(46)28(52)20(47)6-12/h1-8,23,33-35,41-56H,9H2/t23-,33-,34+,35-,41+/m1/s1

InChIKey

DPBVYZVSXAZMAY-UUUCSUBKSA-N

Smiles

Oc1cc(cc(O)c1O)C(=O)O[C@@H]2O[C@@H]3COC(=O)c4cc(O)c(O)c(O)c4c5c(O)c(O)c(O)cc5C(=O)O[C@@H]([C@@H]3OC(=O)c6cc(O)c(O)c(O)c6)[C@H]2OC(=O)c7cc(O)c(O)c(O)c7