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Substance Name: 1,2,3,6-Tetragalloylglucose
RN: 79886-50-3
UNII: 4648S0G699
InChIKey: RATQVALKDAUZBW-XPMKZLBQSA-N

Molecular Formula

  • C34-H28-O22

Molecular Weight

  • 788.573
 
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Names and Synonyms

Name of Substance

  • 1,2,3,6-Tetragalloylglucose

Synonyms

  • 1,2,3,6-Tetra-O-galloyl-B-D-glucose
  • 1,2,3,6-Tgg
  • UNII-4648S0G699

Systematic Name

  • beta-D-Glucopyranose, 1,2,3,6-tetrakis(3,4,5-trihydroxybenzoate)

Registry Numbers

CAS Registry Number

  • 79886-50-3

FDA UNII

  • 4648S0G699

System Generated Number

  • 0079886503

Structure Descriptors

InChI

InChI=1S/C34H28O22/c35-14-1-10(2-15(36)23(14)43)30(48)52-9-22-27(47)28(54-31(49)11-3-16(37)24(44)17(38)4-11)29(55-32(50)12-5-18(39)25(45)19(40)6-12)34(53-22)56-33(51)13-7-20(41)26(46)21(42)8-13/h1-8,22,27-29,34-47H,9H2/t22-,27-,28+,29-,34+/m1/s1

InChIKey

RATQVALKDAUZBW-XPMKZLBQSA-N

Smiles

O[C@@H]1[C@@H](COC(=O)c2cc(O)c(O)c(O)c2)O[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](OC(=O)c4cc(O)c(O)c(O)c4)[C@H]1OC(=O)c5cc(O)c(O)c(O)c5