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S-(2-ACETAMIDO-2-DEOXY-3,4,6-TRI-O-ACETYL-ALPHA-D-GALACTOPYRANOSYL)-5-THIO-PENTANOIC-ACID
SpectraBase Compound ID HUrgjTL6JMq
InChI InChI=1S/C19H29NO10S/c1-10(21)20-16-18(29-13(4)24)17(28-12(3)23)14(9-27-11(2)22)30-19(16)31-8-6-5-7-15(25)26/h14,16-19H,5-9H2,1-4H3,(H,20,21)(H,25,26)/t14-,16-,17+,18-,19-/m1/s1
InChIKey BBGHHQNALZGXCG-IQZDNPOKSA-N
Mol Weight 463.5 g/mol
Molecular Formula C19H29NO10S
Exact Mass 463.151217 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GzlZgh38pcf
Name S-(2-ACETAMIDO-2-DEOXY-3,4,6-TRI-O-ACETYL-ALPHA-D-GALACTOPYRANOSYL)-5-THIO-PENTANOIC-ACID
Compound Number 21
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H29NO10S
InChI InChI=1S/C19H29NO10S/c1-10(21)20-16-18(29-13(4)24)17(28-12(3)23)14(9-27-11(2)22)30-19(16)31-8-6-5-7-15(25)26/h14,16-19H,5-9H2,1-4H3,(H,20,21)(H,25,26)/t14-,16-,17+,18-,19-/m1/s1
InChIKey BBGHHQNALZGXCG-IQZDNPOKSA-N
Literature Reference Author S.KNAPP,D.S.MYERS
Literature Reference Citation J.ORG.CHEM.,67,2995(2002)
Literature Reference DOI 10.1021/jo0110909
Molecular Weight 463.500 g/mol
Solvent CDCl3
Source File Reference UWMS23882