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3,4-dihydroxy-2-[[2-hydroxy-3-[(methylthio)methyl]tetrahydrofuran-2-carbonyl]amino]-4-methyl-tetrahydrofuran-2-carboxamide

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3,4-dihydroxy-2-[[2-hydroxy-3-[(methylthio)methyl]tetrahydrofuran-2-carbonyl]amino]-4-methyl-tetrahydrofuran-2-carboxamide
SpectraBase Compound ID Eg9a2eHWBub
InChI InChI=1S/C13H22N2O7S/c1-11(19)6-22-12(8(11)16,9(14)17)15-10(18)13(20)7(5-23-2)3-4-21-13/h7-8,16,19-20H,3-6H2,1-2H3,(H2,14,17)(H,15,18)
InChIKey FRXCOCBFXUPQFZ-UHFFFAOYSA-N
Mol Weight 350.39 g/mol
Molecular Formula C13H22N2O7S
Exact Mass 350.114772 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JekjZxSTyGA
Name 3,4-dihydroxy-2-[[2-hydroxy-3-[(methylthio)methyl]tetrahydrofuran-2-carbonyl]amino]-4-methyl-tetrahydrofuran-2-carboxamide
Compound Number 38A,ISOMER-#B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H22N2O7S
InChI InChI=1S/C13H22N2O7S/c1-11(19)6-22-12(8(11)16,9(14)17)15-10(18)13(20)7(5-23-2)3-4-21-13/h7-8,16,19-20H,3-6H2,1-2H3,(H2,14,17)(H,15,18)
InChIKey FRXCOCBFXUPQFZ-UHFFFAOYSA-N
Literature Reference Author Y.S.OH,H.KOHN
Literature Reference Citation J.ORG.CHEM.,57,3662(1992)
Literature Reference DOI 10.1021/jo00039a028
Molecular Weight 350.387 g/mol
Solvent DMSO-D6
Source File Reference UWCS387