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Substance Name: 3,5-Di-O-galloyl-4-O-digalloylquinic acid
RN: 123134-19-0
InChIKey: IUPQNOUMMBZOED-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

  • 3,5-Di-O-galloyl-4-O-digalloylquinic acid

Synonym

  • 3,5,4,4-Tetragqa

Systematic Name

  • Benzoic acid, 3,5-dihydroxy-4-((3,4,5-trihydroxybenzoyl)oxy)-, 4-carboxy-4-hydroxy-2,6-bis((3,4,5-trihydroxybenzoyl)oxy)cyclohexyl ester, stereoisomer

Registry Numbers

CAS Registry Number

  • 123134-19-0

System Generated Number

  • 0123134190

Structure Descriptors

InChI

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

InChIKey

IUPQNOUMMBZOED-ZVLUUUFJSA-N

Smiles

c1(c(cc(C(O[C@@H]2[C@@H](C[C@](C[C@H]2OC(c2cc(O)c(c(c2)O)O)=O)(C(=O)O)O)OC(c2cc(O)c(c(c2)O)O)=O)=O)cc1O)O)OC(c1cc(O)c(c(c1)O)O)=O