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N-ACETYL-N-[3-THIO-(2-AMINOETHYL)]-PROPYL-2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSYLAMINE
SpectraBase Compound ID 9dE5OXOo0nI
InChI InChI=1S/2C15H29N3O6S/c2*1-9(20)17-12-14(23)13(22)11(8-19)24-15(12)18(10(2)21)5-3-6-25-7-4-16/h2*11-15,19,22-23H,3-8,16H2,1-2H3,(H,17,20)/t2*11-,12-,13-,14-,15-/m00/s1
InChIKey FWHFHYXUJSDSGP-JBCPZMHWSA-N
Mol Weight 758.94 g/mol
Molecular Formula C30H58N6O12S2
Exact Mass 758.355414 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IB3Ja9mg6Fm
Name N-ACETYL-N-[3-THIO-(2-AMINOETHYL)]-PROPYL-2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSYLAMINE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H58N6O12S2
InChI InChI=1S/2C15H29N3O6S/c2*1-9(20)17-12-14(23)13(22)11(8-19)24-15(12)18(10(2)21)5-3-6-25-7-4-16/h2*11-15,19,22-23H,3-8,16H2,1-2H3,(H,17,20)/t2*11-,12-,13-,14-,15-/m00/s1
InChIKey FWHFHYXUJSDSGP-JBCPZMHWSA-N
Literature Reference Author D.RAMOS,P.ROLLIN,W.KLAFFKE
Literature Reference Citation J.ORG.CHEM.,66,2948(2001)
Literature Reference DOI 10.1021/jo001439c
Molecular Weight 758.944 g/mol
Solvent D2O
Source File Reference UWVN26231