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S-(2-ACETAMIDO-2-DEOXY-3,4,6-TRI-O-ACETYL-ALPHA-D-GALACTOPYRANOSYL)-5-THIO-PENTANOL
SpectraBase Compound ID 2RJY9MT6MCz
InChI InChI=1S/C19H31NO9S/c1-11(22)20-16-18(28-14(4)25)17(27-13(3)24)15(10-26-12(2)23)29-19(16)30-9-7-5-6-8-21/h15-19,21H,5-10H2,1-4H3,(H,20,22)/t15-,16-,17+,18-,19-/m1/s1
InChIKey NZPHTTIKSFMPMN-UJWQCDCRSA-N
Mol Weight 449.52 g/mol
Molecular Formula C19H31NO9S
Exact Mass 449.171953 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4O3SCPwcR8F
Name S-(2-ACETAMIDO-2-DEOXY-3,4,6-TRI-O-ACETYL-ALPHA-D-GALACTOPYRANOSYL)-5-THIO-PENTANOL
Compound Number 22
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H31NO9S
InChI InChI=1S/C19H31NO9S/c1-11(22)20-16-18(28-14(4)25)17(27-13(3)24)15(10-26-12(2)23)29-19(16)30-9-7-5-6-8-21/h15-19,21H,5-10H2,1-4H3,(H,20,22)/t15-,16-,17+,18-,19-/m1/s1
InChIKey NZPHTTIKSFMPMN-UJWQCDCRSA-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 449.516 g/mol
Solvent CDCl3
Source File Reference UWMS23883