[(6-O-Hexopyranosylhexopyranosyl)oxy](phenyl)acetonitrile

enlarge

Systematic / IUPAC Name: [(6-O-Hexopyranosylhexopyranosyl)oxy](phenyl)acetonitrile

ID: Reference7735

Other Names: (R)-Amygdalin;
Amygdalin;
2-Phenyl-2-(3,4,5-trihydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)(2H-3,4,5,6-tetrahydropyran-2-yloxy)]methyl}(2H-3,4,5,6-tetrahydropyran-2-yloxy))ethaneni trile;
Benzeneacetonitrile, a-[(6-O-b-D-glucopyranosyl-b-D-glucopyranosyl)oxy]-

Formula: C20H27NO11

Spectral Data

[(6-O-Hexopyranosylhexopyranosyl)oxy](phenyl)acetonitrile mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 4/9/2018 1:40:38 PM
View Mass Spec Data > >

Identificators

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
InChI Key XUCIJNAGGSZNQT-UHFFFAOYSA-N
Canonical SMILES C1=CC=C(C=C1)C(C#N)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O
CAS
Splash
Other Names (R)-Amygdalin;
Amygdalin;
2-Phenyl-2-(3,4,5-trihydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)(2H-3,4,5,6-tetrahydropyran-2-yloxy)]methyl}(2H-3,4,5,6-tetrahydropyran-2-yloxy))ethaneni trile;
Benzeneacetonitrile, a-[(6-O-b-D-glucopyranosyl-b-D-glucopyranosyl)oxy]-

In Other Databases

ChemSpider 2095
PubChem 2180
Wikipedia Amygdalin