| 2D Structure | |
| CID | 656516 |
| IUPAC Name | (2R)-2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetonitrile |
| 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 |
| InChI Key | XUCIJNAGGSZNQT-JHSLDZJXSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C20H27NO11 |
| Molecular Weight | 457.4 |
| synonyms | ['amygdalin', '29883-15-6', '(R)-Amygdalin', 'D-Amygdalin', '(R)-Laenitrile', '(R)-Amygdaloside', 'R-Amygdalin', 'NSC-15780', 'D(-)-Mandelonitrile-beta-D-gentiobioside', 'D-Mandelonitrile-beta-D-glucosido-6-beta-D-glucoside', '214UUQ9N0H', 'NSC 15780', 'Glucoprunasin', 'CHEBI:17019', 'DTXSID00897159', '(-)-D-mandelonitrile beta-D-gentiobioside', '(2R)-[(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy](phenyl)acetonitrile', '(R)-alpha-((6-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy)benzeneacetonitrile', 'Benzeneacetonitrile, alpha-((6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)-, (R)-', '(2R)-2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetonitrile', 'CHEBI:27613', 'NSC251222', '(2R)-((6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)(phenyl)acetonitrile', '(2R)-2-phenyl-2-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxymethyl)oxan-2-yl)oxyacetonitrile', 'RefChem:5553', 'Mandelonitrile beta Gentiobioside', 'DTXCID701326581', '2-phenyl-2-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)methyl)oxan-2-yl)oxy)acetonitrile', '249-925-3', '((6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)(phenyl)acetonitrile', 'NSC15780', 'Amygdaloside', '(R)-2-phenyl-2-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)acetonitrile', 'Benzeneacetonitrile,a-[(6-O-b-D-glucopyranosyl-b-D-glucopyranosyl)oxy]-, (aR)-', 'MFCD00006598', 'C20H27NO11', '(2R)-2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-acetonitrile', 'amygdaline', 'UNII-214UUQ9N0H', 'MFCD00866428', 'HSDB 3559', 'EINECS 249-925-3', 'BRN 0066856', 'Amygdalin/Vitamin B17', 'AMYGDALIN [MI]', 'AMYGDALIN [HSDB]', 'bmse000139', 'AMYGDALIN [WHO-DD]', '5-17-08-00118 (Beilstein Handbook Reference)', 'MLS002473175', 'SCHEMBL131406', 'CHEMBL461727', 'orb1305010', 'MSK1532', 'HMS2205O07', 'HY-N0190', 's2260', 'AKOS016034288', 'CCG-269308', 'CS-6162', 'DS-7377', 'EBC-617148', 'SMP1_000103', '(2R)-2-phenyl-2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}acetonitrile', 'AC-27315', 'SMR001397267', 'SY067870', 'D-(-)-mandelonitrile-beta-D-gentiobioside', 'NS00015336', 'C08325', 'Q410215', 'BRD-K03504028-001-07-6', '(2R)-((6-O-.BETA.-D-GLUCOPYRANOSYL-.BETA.-D-GLUCOPYRANOSYL)OXY)(PHENYL)ACETONITRILE', '(R)-alpha-((6-O-beta-D-glucopyranosyl-beta-D- glucopyranosyl)oxy)benzeneacetonitrile', '(r)-alpha-((6-o-beta-d-glucopyranosyl-beta-d-glucopyranosyl)oxy)benzeneaceto', 'Benzeneacetonitrile, alpha-[(6-O-.beta.-D-glucopyransoyl-.beta.-D-glucopyranosyl)oxy]-, (R)-'] |
From Pubchem