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N-ACETYL-N-[3-THIO-(2-AMINOETHYL)]-PROPYL-(BETA-D-GALACTOPYRANOSYL)-(1->4)-BETA-D-GLUCOPYRANOSYLAMINE
SpectraBase Compound ID 20O0bCJyKY4
InChI InChI=1S/2C19H36N2O11S/c2*1-9(24)21(4-2-5-33-6-3-20)18-15(28)14(27)17(11(8-23)30-18)32-19-16(29)13(26)12(25)10(7-22)31-19/h2*10-19,22-23,25-29H,2-8,20H2,1H3/t2*10-,11-,12+,13+,14-,15-,16-,17-,18-,19+/m00/s1
InChIKey QCYHEYPZWLDINS-WWCSXIFESA-N
Mol Weight 1001.1 g/mol
Molecular Formula C38H72N4O22S2
Exact Mass 1000.407962 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 26vlpqq5rU6
Name N-ACETYL-N-[3-THIO-(2-AMINOETHYL)]-PROPYL-(BETA-D-GALACTOPYRANOSYL)-(1->4)-BETA-D-GLUCOPYRANOSYLAMINE
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H72N4O22S2
InChI InChI=1S/2C19H36N2O11S/c2*1-9(24)21(4-2-5-33-6-3-20)18-15(28)14(27)17(11(8-23)30-18)32-19-16(29)13(26)12(25)10(7-22)31-19/h2*10-19,22-23,25-29H,2-8,20H2,1H3/t2*10-,11-,12+,13+,14-,15-,16-,17-,18-,19+/m00/s1
InChIKey QCYHEYPZWLDINS-WWCSXIFESA-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 1001.123 g/mol
Solvent D2O
Source File Reference UWVN26233