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Substance Name: beta-Penta-O-galloyl-glucose
RN: 14937-32-7
UNII: 3UI3K8W93I
InChIKey: QJYNZEYHSMRWBK-NIKIMHBISA-N

Note

  • Pentahydroxy gallic acid ester of glucose; a phytogenic antineoplastic agent and antibacterial agent.

Molecular Weight

  • 940.678
 
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Names and Synonyms

Name of Substance

  • beta-Penta-O-galloyl-glucose

Synonyms

  • 1,2,3,4,6-Penta-O-galloyl beta-glucopyranose
  • 1,2,3,4,6-Penta-O-galloyl-beta-D-glucose
  • 1,2,3,4,6-Penta-O-galloylglucose
  • 1,2,3,4,6-Pentagalloylglucose
  • 1,2,3,4,6-Pgg
  • UNII-3UI3K8W93I

Systematic Name

  • beta-D-Glucopyranose pentakis(3,4,5-trihydroxybenzoate)

Registry Numbers

CAS Registry Number

  • 14937-32-7

FDA UNII

  • 3UI3K8W93I

System Generated Number

  • 0014937327

Structure Descriptors

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/s1

InChIKey

QJYNZEYHSMRWBK-NIKIMHBISA-N

Smiles

O1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1OC(c1cc(c(c(c1)O)O)O)=O)OC(c1cc(c(c(c1)O)O)O)=O)OC(c1cc(c(c(c1)O)O)O)=O)OC(c1cc(c(c(c1)O)O)O)=O)COC(c1cc(c(c(c1)O)O)O)=O