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Substance Name: 1,3,4,5-Tetra-O-galloylquinic acid
RN: 109008-79-9
InChIKey: JQVXKQDWMIXILH-ZVLUUUFJSA-N

Note

  • Inhibits HIV growth.

Molecular Formula

  • C35-H28-O22

Molecular Weight

  • 800.584
 
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Names and Synonyms

Name of Substance

  • 1,3,4,5-Tetra-O-galloylquinic acid

Synonym

  • 1,3,4,5-Tetragqa

Systematic Name

  • Benzoic acid, 3,4,5-trihydroxy-, tetramol. ester, 5-carboxy-2,3,5-trihydroxycyclohexyl ester, (1alpha,2beta,3beta,5beta)-

Registry Numbers

CAS Registry Number

  • 109008-79-9

System Generated Number

  • 0109008799

Structure Descriptors

InChI

1S/C35H28O22/c36-15-1-11(2-16(37)25(15)44)30(48)54-23-9-35(34(52)53,57-33(51)14-7-21(42)28(47)22(43)8-14)10-24(55-31(49)12-3-17(38)26(45)18(39)4-12)29(23)56-32(50)13-5-19(40)27(46)20(41)6-13/h1-8,23-24,29,36-47H,9-10H2,(H,52,53)/t23-,24-,29-,35+/m1/s1

InChIKey

JQVXKQDWMIXILH-ZVLUUUFJSA-N

Smiles

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