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METHYL-2,3,4-TRI-O-ACETYL-6-THIO-6-[2'-(METHYL-BUTANOATE)]-BETA-D-GALACTOPYRANOSIDE
SpectraBase Compound ID LoOns46OcPH
InChI InChI=1S/2C18H28O10S/c2*1-7-13(17(22)23-5)29-8-12-14(25-9(2)19)15(26-10(3)20)16(27-11(4)21)18(24-6)28-12/h2*12-16,18H,7-8H2,1-6H3/t12-,13+,14+,15+,16-,18-;12-,13-,14+,15+,16-,18-/m10/s1
InChIKey SLSZJLNSLKUPRE-SLCAHWMRSA-N
Mol Weight 872.94 g/mol
Molecular Formula C36H56O20S2
Exact Mass 872.280637 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7BBene1f1jv
Name METHYL-2,3,4-TRI-O-ACETYL-6-THIO-6-[2'-(METHYL-BUTANOATE)]-BETA-D-GALACTOPYRANOSIDE
Compound Number 22
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H56O20S2
InChI InChI=1S/2C18H28O10S/c2*1-7-13(17(22)23-5)29-8-12-14(25-9(2)19)15(26-10(3)20)16(27-11(4)21)18(24-6)28-12/h2*12-16,18H,7-8H2,1-6H3/t12-,13+,14+,15+,16-,18-;12-,13-,14+,15+,16-,18-/m10/s1
InChIKey SLSZJLNSLKUPRE-SLCAHWMRSA-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 872.949 g/mol
Sample ID 45092
Solvent CDCl3