CAS Registry Number®
29883-15-6
CAS Name
Amygdalin
Molecular Formula
C20H27NO11
Molecular Mass
457.43
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
- Amygdaloside
- Mandelonitrile-β-gentiobioside
- (R)-Amygdalin
- NSC 15780
- (-)-Amygdalin
- Amygdaloside (disaccharide)
- MeSH ID: D000678
Deleted or Replaced CAS Registry Numbers
672-72-0
