Amygdalin

CAS Registry Number®

29883-15-6

CAS Name

Amygdalin

Molecular Formula

C20H27NO11

Molecular Mass

457.43

Cite this Page

Amygdalin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=29883-15-6 (retrieved 2024-11-22) (CAS RN: 29883-15-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    223-226 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11+,12+,13+,14+,15-,16-,17+,18+,19+,20+/m0/s1

InChIKey

InChIKey=XUCIJNAGGSZNQT-JHSLDZJXSA-N

SMILES

O([C@@H](C#N)C1=CC=CC=C1)[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O

Canonical SMILES

N#CC(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C=3C=CC=CC3

Other Names for this Substance

  • Benzeneacetonitrile, α-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-, (αR)-
  • Amygdalin
  • Benzeneacetonitrile, α-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-, (R)-
  • (αR)-α-[(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]benzeneacetonitrile
  • D-Amygdalin

View All

Deleted or Replaced CAS Registry Numbers

672-72-0

CAS INSIGHTSTM
Targeted protein degrader structure, illustration