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METHYL-2,3,4-TRI-O-ACETYL-6-THIO-6-[2'-(GAMMA-BUTYROLACTONE)]-BETA-D-GALACTOPYRANOSIDE
SpectraBase Compound ID 7wuQmUplOWJ
InChI InChI=1S/2C17H24O10S/c2*1-8(18)24-13-11(7-28-12-5-6-23-16(12)21)27-17(22-4)15(26-10(3)20)14(13)25-9(2)19/h2*11-15,17H,5-7H2,1-4H3/t11-,12+,13+,14+,15-,17-;11-,12-,13+,14+,15-,17-/m01/s1
InChIKey REOUAJHAEBDOJU-PEHFWOFUSA-N
Mol Weight 840.86 g/mol
Molecular Formula C34H48O20S2
Exact Mass 840.218036 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B4dqc5d4qn9
Name METHYL-2,3,4-TRI-O-ACETYL-6-THIO-6-[2'-(GAMMA-BUTYROLACTONE)]-BETA-D-GALACTOPYRANOSIDE
Compound Number 28
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H48O20S2
InChI InChI=1S/2C17H24O10S/c2*1-8(18)24-13-11(7-28-12-5-6-23-16(12)21)27-17(22-4)15(26-10(3)20)14(13)25-9(2)19/h2*11-15,17H,5-7H2,1-4H3/t11-,12+,13+,14+,15-,17-;11-,12-,13+,14+,15-,17-/m01/s1
InChIKey REOUAJHAEBDOJU-PEHFWOFUSA-N
Literature Reference Author A.FAZLI,S.J.BRADLEY,M.J.KIEFEL,C.JOLLY,I.H.HOLMES,M.V.ITZSTE IN
Literature Reference Citation J.MED.CHEM.,44,3292(2001)
Literature Reference DOI 10.1021/jm0100887
Molecular Weight 840.863 g/mol
Sample ID 45095
Solvent CDCl3