Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 4-Galloylchlorogenic acid
RN: 574747-59-4
UNII: 48W86P70I0
InChIKey: JODSXMBDAMZIDL-HXYPBPKPSA-N

Molecular Formula

  • C23-H22-O13

Molecular Weight

  • 506.4138
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 4-Galloylchlorogenic acid

Synonyms

  • 4-Galloylchlorogenic acid
  • 4-o-Galloylchlorogenic acid
  • Benzoic acid, 3,4,5-trihydroxy-, (1R,2R,4S,6R)-4-carboxy-2-(((2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl)oxy)-4,6-dihydroxycyclohexyl ester
  • Benzoic acid, 3,4,5-trihydroxy-, (1R,2R,4S,6R)-4-carboxy-2-(((2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-4,6-dihydroxycyclohexyl ester
  • UNII-48W86P70I0

Registry Numbers

CAS Registry Number

  • 574747-59-4

FDA UNII

  • 48W86P70I0

System Generated Number

  • 0574747594

Structure Descriptors

InChI

1S/C23H22O13/c24-12-3-1-10(5-13(12)25)2-4-18(29)35-17-9-23(34,22(32)33)8-16(28)20(17)36-21(31)11-6-14(26)19(30)15(27)7-11/h1-7,16-17,20,24-28,30,34H,8-9H2,(H,32,33)/b4-2+/t16-,17-,20-,23+/m1/s1

InChIKey

JODSXMBDAMZIDL-HXYPBPKPSA-N

Smiles

O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1OC(=O)c3cc(O)c(O)c(O)c3)C(=O)O