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2,4,7,8,9-Penta-O-acetyl-N-acetyl-neuraminic acid

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2,4,7,8,9-Penta-O-acetyl-N-acetyl-neuraminic acid
SpectraBase Compound ID 3cW8Iqo3m2b
InChI InChI=1S/C21H29NO14/c1-9(23)22-17-15(32-11(3)25)7-21(20(29)30,35-14(6)28)36-19(17)18(34-13(5)27)16(33-12(4)26)8-31-10(2)24/h15-19H,7-8H2,1-6H3,(H,22,23)(H,29,30)/t15-,16?,17+,18?,19+,21-/m0/s1
InChIKey MYVACZVKCHHJHJ-WMXYJCIXSA-N
Mol Weight 519.46 g/mol
Molecular Formula C21H29NO14
Exact Mass 519.158805 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EHnrJm4ZZvJ
Name 2,4,7,8,9-Penta-O-acetyl-N-acetyl-neuraminic acid
CAS Registry Number 72690-20-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H29NO14
InChI InChI=1S/C21H29NO14/c1-9(23)22-17-15(32-11(3)25)7-21(20(29)30,35-14(6)28)36-19(17)18(34-13(5)27)16(33-12(4)26)8-31-10(2)24/h15-19H,7-8H2,1-6H3,(H,22,23)(H,29,30)/t15-,16?,17+,18?,19+,21-/m0/s1
InChIKey MYVACZVKCHHJHJ-WMXYJCIXSA-N
Instrument Name Jeol PFT-100
Literature Reference M.F. Czarniecki, E.R. Thornton, J. Am. Chem. Soc. 99, 8273 (1977).
NMR Standard Acetone
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O