1-[2-(β-D-Glucopyranosyloxy)-4,6-dihydroxyphenyl]-3-phenyl-1-propanone

CAS Registry Number®

31018-48-1

CAS Name

1-[2-(β-D-Glucopyranosyloxy)-4,6-dihydroxyphenyl]-3-phenyl-1-propanone

Molecular Formula

C21H24O9

Molecular Mass

420.41

Cite this Page

1-[2-(β-D-Glucopyranosyloxy)-4,6-dihydroxyphenyl]-3-phenyl-1-propanone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=31018-48-1 (retrieved 2024-11-26) (CAS RN: 31018-48-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H24O9/c22-10-16-18(26)19(27)20(28)21(30-16)29-15-9-12(23)8-14(25)17(15)13(24)7-6-11-4-2-1-3-5-11/h1-5,8-9,16,18-23,25-28H,6-7,10H2/t16-,18-,19+,20-,21-/m1/s1

InChIKey

InChIKey=NLGUKXQDDTZCDG-QNDFHXLGSA-N

SMILES

C(CCC1=CC=CC=C1)(=O)C2=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C(O)C=C2O

Canonical SMILES

O=C(C=1C(O)=CC(O)=CC1OC2OC(CO)C(O)C(O)C2O)CCC=3C=CC=CC3

Other Names for this Substance

  • 1-Propanone, 1-[2-(β-D-glucopyranosyloxy)-4,6-dihydroxyphenyl]-3-phenyl-
  • 1-[2-(β-D-Glucopyranosyloxy)-4,6-dihydroxyphenyl]-3-phenyl-1-propanone
  • 2-Hydrocinnamoyl-3,5-dihydroxyphenyl β-D-glucopyranoside

Deleted or Replaced CAS Registry Numbers

101320-45-0

CAS INSIGHTSTM
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