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Methyl 4,7,8,9-tetra-O-acetyl-N-acetyl-2-deoxy.alpha.-D-neuraminate
SpectraBase Compound ID 5X5mRpQq8IQ
InChI InChI=1S/C20H29NO12/c1-9(22)21-17-14(30-11(3)24)7-15(20(27)28-6)33-19(17)18(32-13(5)26)16(31-12(4)25)8-29-10(2)23/h14-19H,7-8H2,1-6H3,(H,21,22)
InChIKey VFEBRWKZQURCHT-UHFFFAOYSA-N
Mol Weight 475.45 g/mol
Molecular Formula C20H29NO12
Exact Mass 475.168975 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1nZFMhzA7Ia
Name Methyl 4,7,8,9-tetra-O-acetyl-N-acetyl-2-deoxy.alpha.-D-neuraminate
Comments reassigned
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Formula C20H29NO12
InChI InChI=1S/C20H29NO12/c1-9(22)21-17-14(30-11(3)24)7-15(20(27)28-6)33-19(17)18(32-13(5)26)16(31-12(4)25)8-29-10(2)23/h14-19H,7-8H2,1-6H3,(H,21,22)
InChIKey VFEBRWKZQURCHT-UHFFFAOYSA-N
Instrument Name Varian XL-200
Literature Reference M.J. Kim, W.J. Hennen, M. Sweers, C.H.Wong, J. Am. Chem. Soc. 110, 6481 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3