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1-(beta-D-xylopyranosyl)-2(1H)-pyridone, triacetate

View entire compound with spectra: 2 NMR, 1 FTIR, 1 Raman, and 1 UV-Vis

1-(beta-D-xylopyranosyl)-2(1H)-pyridone, triacetate
SpectraBase Compound ID BbBILjRI9bn
InChI InChI=1S/C16H19NO8/c1-9(18)23-12-8-22-16(17-7-5-4-6-13(17)21)15(25-11(3)20)14(12)24-10(2)19/h4-7,12,14-16H,8H2,1-3H3/t12-,14+,15-,16-/m1/s1
InChIKey XPQQVRXIZLUATF-SLBVQIDZSA-N
Mol Weight 353.33 g/mol
Molecular Formula C16H19NO8
Exact Mass 353.111067 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HnjYTIYTX64
Name 1-(beta-D-Xylopyranosyl)-2(1H)-pyridone, triacetate
Comments Computed using HOSE algorithm
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Exact Mass 353.111066568 u
Formula C16H19NO8
InChI InChI=1S/C16H19NO8/c1-9(18)23-12-8-22-16(17-7-5-4-6-13(17)21)15(25-11(3)20)14(12)24-10(2)19/h4-7,12,14-16H,8H2,1-3H3/t12-,14+,15-,16-/m1/s1
InChIKey XPQQVRXIZLUATF-SLBVQIDZSA-N
Molecular Weight 353.327 g/mol
SMILES C1=CC=CC(N1[C@@]1(OC[C@]([C@@]([C@]1(OC(=O)C)[H])(OC(=O)C)[H])(OC(C)=O)[H])[H])=O