5-O-Caffeoylshikimic acid

CAS Registry Number®

73263-62-4

CAS Name

5-O-Caffeoylshikimic acid

Molecular Formula

C16H16O8

Molecular Mass

336.29

Cite this Page

5-O-Caffeoylshikimic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=73263-62-4 (retrieved 2024-11-25) (CAS RN: 73263-62-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H16O8/c17-10-3-1-8(5-11(10)18)2-4-14(20)24-13-7-9(16(22)23)6-12(19)15(13)21/h1-6,12-13,15,17-19,21H,7H2,(H,22,23)/b4-2+/t12-,13-,15-/m1/s1

InChIKey

InChIKey=QMPHZIPNNJOWQI-GDDAOPKQSA-N

SMILES

O(C(/C=C/C1=CC(O)=C(O)C=C1)=O)[C@@H]2CC(C(O)=O)=C[C@@H](O)[C@H]2O

Canonical SMILES

O=C(O)C1=CC(O)C(O)C(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1

Other Names for this Substance

  • 1-Cyclohexene-1-carboxylic acid, 5-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-3,4-dihydroxy-, (3R,4R,5R)-
  • 1-Cyclohexene-1-carboxylic acid, 5-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-3,4-dihydroxy-, [3R-(3α,4α,5β)]-
  • (3R,4R,5R)-5-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-3,4-dihydroxy-1-cyclohexene-1-carboxylic acid
  • 5-O-Caffeoylshikimic acid
  • Dactylifric acid

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Deleted or Replaced CAS Registry Numbers

378792-53-1

CAS INSIGHTSTM
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