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2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-acetonitrile

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2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-acetonitrile
SpectraBase Compound ID KFCY7w06ubv
InChI InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9?,10-,11-,12+,13-,14-/m1/s1
InChIKey ZKSZEJFBGODIJW-MXNNCRBYSA-N
Mol Weight 295.29 g/mol
Molecular Formula C14H17NO6
Exact Mass 295.105587 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5l4QREfHzMc
Name Prunasin
CAS Registry Number 99-18-3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H17NO6
InChI InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9?,10-,11-,12+,13-,14-/m1/s1
InChIKey ZKSZEJFBGODIJW-MXNNCRBYSA-N
Instrument Name Varian XL-100
Literature Reference W. Huebel, A. Nahrstedt, V. Wray, Arch. Pharm. 314, 609 (1981).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O