Caffeic acid 3-(β-1-glucoside)

CAS Registry Number®

24959-81-7

CAS Name

Caffeic acid 3-(β-1-glucoside)

Molecular Formula

C15H18O9

Molecular Mass

342.30

Cite this Page

Caffeic acid 3-(β-1-glucoside).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=24959-81-7 (retrieved 2024-12-04) (CAS RN: 24959-81-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-5-7(1-3-8(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=QOPSZFXPZWQLOG-TVKJYDDYSA-N

SMILES

O([C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2=CC(C=CC(O)=O)=CC=C2O

Canonical SMILES

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

Other Names for this Substance

  • 2-Propenoic acid, 3-[3-(β-D-glucopyranosyloxy)-4-hydroxyphenyl]-
  • Cinnamic acid, 3-(β-D-glucopyranosyloxy)-4-hydroxy-
  • Cinnamic acid, 3-(β-D-glucosyloxy)-4-hydroxy-
  • 3-[3-(β-D-Glucopyranosyloxy)-4-hydroxyphenyl]-2-propenoic acid
  • Caffeic acid 3-(β-1-glucoside)

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Deleted or Replaced CAS Registry Numbers

97980-96-6, 98102-53-5

CAS INSIGHTSTM
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