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Substance Name: 1,3,4-Tri-O-galloylquinic acid
RN: 110082-89-8
InChIKey: MFFWGSMFANTCDY-LGFATHPOSA-N

Molecular Formula

  • C28-H24-O18

Molecular Weight

  • 648.4796
 
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Names and Synonyms

Results Name

  • 1,3,4-Tri-O-galloylquinic acid

Synonym

  • 1,3,4-Tri-O-galloylquinic acid

Systematic Name

  • Benzoic acid, 3,4,5-trihydroxy-, 4-carboxy-6-hydroxy-1,2,4-cyclohexanetriyl ester, (1R-(1alpha,2beta,4alpha,6alpha)-)-

Registry Numbers

CAS Registry Number

  • 110082-89-8

System Generated Number

  • 0110082898

Structure Descriptors

InChI

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

InChIKey

MFFWGSMFANTCDY-LGFATHPOSA-N

Smiles

c1c(cc(c(c1O)O)O)C(=O)O[C@@H]2C[C@@](C[C@H]([C@H]2OC(=O)c3cc(c(c(c3)O)O)O)O)(C(=O)O)OC(=O)c4cc(c(c(c4)O)O)O