Caffeic acid 4-O-β-D-glucopyranoside

CAS Registry Number®

17093-82-2
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CAS Name

Caffeic acid 4-O-β-D-glucopyranoside

Molecular Formula

C15H18O9

Molecular Mass

342.30

Cite this Page

Caffeic acid 4-O-β-D-glucopyranoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=17093-82-2 (retrieved 2024-09-19) (CAS RN: 17093-82-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    159-160 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-3-1-7(5-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)/t10-,12-,13+,14-,15-/m1/s1

InChIKey

InChIKey=OHEYCHKLBCPRLZ-TVKJYDDYSA-N

SMILES

O([C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2=C(O)C=C(C=CC(O)=O)C=C2

Canonical SMILES

O=C(O)C=CC1=CC=C(OC2OC(CO)C(O)C(O)C2O)C(O)=C1

Other Names for this Substance

  • 2-Propenoic acid, 3-[4-(β-D-glucopyranosyloxy)-3-hydroxyphenyl]-
  • Cinnamic acid, 4-(β-D-glucopyranosyloxy)-3-hydroxy-
  • Cinnamic acid, 4-(β-D-glucosyloxy)-3-hydroxy-
  • 3-[4-(β-D-Glucopyranosyloxy)-3-hydroxyphenyl]-2-propenoic acid
  • Glucocaffeic acid

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Deleted or Replaced CAS Registry Numbers

16088-14-5, 78808-82-9