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

CAS Registry Number®

82628-84-0

CAS Name

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

Molecular Formula

C21H23NO11

Molecular Mass

465.41

Cite this Page

1-[2-(β-D-Glucopyranosyloxy)-4,6-dihydroxyphenyl]-3-(4-nitrophenyl)-1-propanone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=82628-84-0 (retrieved 2024-12-02) (CAS RN: 82628-84-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H23NO11/c23-9-16-18(27)19(28)20(29)21(33-16)32-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(5-2-10)22(30)31/h1-2,4-5,7-8,16,18-21,23-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1

InChIKey

InChIKey=UZMKMTNQYIJXTD-QNDFHXLGSA-N

SMILES

C(CCC1=CC=C(N(=O)=O)C=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)CCC3=CC=C(C=C3)N(=O)=O

Other Names for this Substance

  • 1-Propanone, 1-[2-(β-D-glucopyranosyloxy)-4,6-dihydroxyphenyl]-3-(4-nitrophenyl)-
  • 1-[2-(β-D-Glucopyranosyloxy)-4,6-dihydroxyphenyl]-3-(4-nitrophenyl)-1-propanone

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