4-(β-D-Glucopyranosyloxy)-1H-indole-3-acetonitrile
CAS Registry Number®
229483-41-4
CAS Name
4-(β-D-Glucopyranosyloxy)-1H-indole-3-acetonitrileMolecular Formula
C16H18N2O6Molecular Mass
334.32Cite 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 ) (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