4-[(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-1H-indole-3-acetonitrile

CAS Registry Number®

229483-42-5

CAS Name

4-[(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-1H-indole-3-acetonitrile

Molecular Formula

C22H28N2O11

Molecular Mass

496.46

Cite this Page

4-[(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-1H-indole-3-acetonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=229483-42-5 (retrieved 2024-11-25) (CAS RN: 229483-42-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H28N2O11/c23-5-4-9-6-24-10-2-1-3-11(14(9)10)33-22-20(31)18(29)16(27)13(35-22)8-32-21-19(30)17(28)15(26)12(7-25)34-21/h1-3,6,12-13,15-22,24-31H,4,7-8H2/t12-,13-,15-,16-,17+,18+,19-,20-,21-,22-/m1/s1

InChIKey

InChIKey=YWQNATCXFBWYHU-KWOKUELKSA-N

SMILES

O(C1=C2C(NC=C2CC#N)=CC=C1)[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O

Canonical SMILES

N#CCC1=CNC=2C=CC=C(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)C21

Other Names for this Substance

  • 1H-Indole-3-acetonitrile, 4-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-
  • 4-[(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-1H-indole-3-acetonitrile
  • Cappariloside B

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