Sambunigrin

CAS Registry Number®

99-19-4

CAS Name

Sambunigrin

Molecular Formula

C14H17NO6

Molecular Mass

295.29

Cite this Page

Sambunigrin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=99-19-4 (retrieved 2024-11-21) (CAS RN: 99-19-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10-,11-,12+,13-,14-/m1/s1

InChIKey

InChIKey=ZKSZEJFBGODIJW-YOVYLDAJSA-N

SMILES

O([C@H](C#N)C1=CC=CC=C1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O

Canonical SMILES

N#CC(OC1OC(CO)C(O)C(O)C1O)C=2C=CC=CC2

Other Names for this Substance

  • Benzeneacetonitrile, α-(β-D-glucopyranosyloxy)-, (αS)-
  • Sambunigrin
  • Benzeneacetonitrile, α-(β-D-glucopyranosyloxy)-, (S)-
  • (αS)-α-(β-D-Glucopyranosyloxy)benzeneacetonitrile
  • L-Prunasin

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CAS INSIGHTSTM
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