4-(β-D-Glucopyranosyloxy)-1H-indole-3-acetonitrile

CAS Registry Number®

229483-41-4

CAS Name

4-(β-D-Glucopyranosyloxy)-1H-indole-3-acetonitrile

Molecular Formula

C16H18N2O6

Molecular Mass

334.32

Cite this Page

4-(β-D-Glucopyranosyloxy)-1H-indole-3-acetonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=229483-41-4 (retrieved 2024-11-22) (CAS RN: 229483-41-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H18N2O6/c17-5-4-8-6-18-9-2-1-3-10(12(8)9)23-16-15(22)14(21)13(20)11(7-19)24-16/h1-3,6,11,13-16,18-22H,4,7H2/t11-,13-,14+,15-,16-/m1/s1

InChIKey

InChIKey=ZVFUTZQNUQUJLW-YMILTQATSA-N

SMILES

O(C1=C2C(NC=C2CC#N)=CC=C1)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O

Canonical SMILES

N#CCC1=CNC=2C=CC=C(OC3OC(CO)C(O)C(O)C3O)C21

Other Names for this Substance

  • 1H-Indole-3-acetonitrile, 4-(β-D-glucopyranosyloxy)-
  • 4-(β-D-Glucopyranosyloxy)-1H-indole-3-acetonitrile
  • Cappariloside A

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