| SpectraBase Compound ID | 4ctWLItYXM0 |
|---|---|
| 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 | XUCIJNAGGSZNQT-JHSLDZJXSA-N |
| Mol Weight | 457.43 g/mol |
| Molecular Formula | C20H27NO11 |
| Exact Mass | 457.158411 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4wSgUpUMluS |
|---|---|
| Name | D-Amygdalin |
| Source of Sample | Aldrich Chemical Company, Inc., Milwaukee, Wisconsin |
| CAS Registry Number | 29883-15-6 |
| Comments | Tentative assignment |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H27NO11 |
| IUPAC Name | (2R)-2-phenyl-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-acetonitrile; (2R)-2-phenyl-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-ethanenitrile; (2R)-2-phenyl-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-acetonitrile; (2R)-2-phenyl-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-acetonitrile |
| 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 | XUCIJNAGGSZNQT-JHSLDZJXSA-N |
| Melting Point | 223-226C |
| Solvent | Polysol; Reference=TMS Spectrometer= Varian CFT-20 |
| Synonyms | D-Mandelonitrile β-gentiobioside D-Mandelonitrile 6-O-β-D-glucosido-β-D-glucoside D-Mandelonitrile-β-gentiobioside Laetrile |