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S-(2-ACETAMIDO-2-DEOXY-3,4,6-TRI-O-ACETYL-ALPHA-D-GALACTOPYRANOSYL)-2-THIO-BENZOQUINONE
SpectraBase Compound ID PENd8vWf7g
InChI InChI=1S/C20H23NO10S/c1-9(22)21-17-19(30-12(4)25)18(29-11(3)24)15(8-28-10(2)23)31-20(17)32-16-7-13(26)5-6-14(16)27/h5-7,15,17-20H,8H2,1-4H3,(H,21,22)/t15-,17-,18+,19-,20-/m1/s1
InChIKey IYBGJVKMBCNJGA-XIKSMUEASA-N
Mol Weight 469.46 g/mol
Molecular Formula C20H23NO10S
Exact Mass 469.104267 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A3w8vNn1ht2
Name S-(2-ACETAMIDO-2-DEOXY-3,4,6-TRI-O-ACETYL-ALPHA-D-GALACTOPYRANOSYL)-2-THIO-BENZOQUINONE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H23NO10S
InChI InChI=1S/C20H23NO10S/c1-9(22)21-17-19(30-12(4)25)18(29-11(3)24)15(8-28-10(2)23)31-20(17)32-16-7-13(26)5-6-14(16)27/h5-7,15,17-20H,8H2,1-4H3,(H,21,22)/t15-,17-,18+,19-,20-/m1/s1
InChIKey IYBGJVKMBCNJGA-XIKSMUEASA-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 469.463 g/mol
Solvent CDCl3
Source File Reference UWMS23873