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S-(2-ACETAMIDO-2-DEOXY-3,4,6-TRI-O-ACETYL-ALPHA-D-GALACTOPYRANOSYL)-3-THIOPROPIONIC-ACID
SpectraBase Compound ID 68zaXds6gfm
InChI InChI=1S/C17H25NO10S/c1-8(19)18-14-16(27-11(4)22)15(26-10(3)21)12(7-25-9(2)20)28-17(14)29-6-5-13(23)24/h12,14-17H,5-7H2,1-4H3,(H,18,19)(H,23,24)/t12-,14-,15+,16-,17-/m1/s1
InChIKey WLORUKFYOHVXSC-USACIQFYSA-N
Mol Weight 435.44 g/mol
Molecular Formula C17H25NO10S
Exact Mass 435.119917 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BZAc5Qwn90R
Name S-(2-ACETAMIDO-2-DEOXY-3,4,6-TRI-O-ACETYL-ALPHA-D-GALACTOPYRANOSYL)-3-THIOPROPIONIC-ACID
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H25NO10S
InChI InChI=1S/C17H25NO10S/c1-8(19)18-14-16(27-11(4)22)15(26-10(3)21)12(7-25-9(2)20)28-17(14)29-6-5-13(23)24/h12,14-17H,5-7H2,1-4H3,(H,18,19)(H,23,24)/t12-,14-,15+,16-,17-/m1/s1
InChIKey WLORUKFYOHVXSC-USACIQFYSA-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 435.446 g/mol
Solvent CDCl3
Source File Reference UWMS23877