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Substance Name: 3,4,5-Tri-O-galloylquinic acid
RN: 99745-62-7
InChIKey: PEOHIPMSHPWYAQ-LGFATHPOSA-N

Note

  • DNA polymerase inhibitor.

Molecular Weight

  • 648.48
 
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Names and Synonyms

Name of Substance

  • 3,4,5-Tri-O-galloylquinic acid

Synonyms

  • 3,4,5-Tri-O-galloylquinic acid
  • TGQA

Systematic Name

  • Benzoic acid, 3,4,5-trihydroxy-, 5-carboxy-5-hydroxy-1,2,3-cyclohexanetriyl ester, (1alpha,3alpha,4alpha,5beta)-

Registry Numbers

CAS Registry Number

  • 99745-62-7

System Generated Number

  • 0099745627

Structure Descriptors

InChI

1S/C28H24O18/c29-12-1-9(2-13(30)20(12)35)24(38)44-18-7-28(43,27(41)42)8-19(45-25(39)10-3-14(31)21(36)15(32)4-10)23(18)46-26(40)11-5-16(33)22(37)17(34)6-11/h1-6,18-19,23,29-37,43H,7-8H2,(H,41,42)/t18-,19-,23-,28+/m1/s1

InChIKey

PEOHIPMSHPWYAQ-LGFATHPOSA-N

Smiles

C1[C@H]([C@H]([C@@H](C[C@]1(O)C(=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