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METHYL-2,3,4-TRI-O-ACETYL-6-THIOLACETYL-BETA-D-GALACTOPYRANOSYL-(1,4)-2,3,6-TRI-O-ACETYL-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID JReuCKpWHLO
InChI InChI=1S/C27H38O17S/c1-11(28)36-9-18-20(22(38-13(3)30)24(40-15(5)32)26(35-8)42-18)44-27-25(41-16(6)33)23(39-14(4)31)21(37-12(2)29)19(43-27)10-45-17(7)34/h18-27H,9-10H2,1-8H3/t18-,19-,20-,21+,22+,23+,24-,25-,26-,27+/m1/s1
InChIKey YVMZLWUMQYYLOG-CLRDYZIGSA-N
Mol Weight 666.6 g/mol
Molecular Formula C27H38O17S
Exact Mass 666.182971 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EEnpxX3ZZJs
Name METHYL-2,3,4-TRI-O-ACETYL-6-THIOLACETYL-BETA-D-GALACTOPYRANOSYL-(1,4)-2,3,6-TRI-O-ACETYL-BETA-D-GLUCOPYRANOSIDE
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H38O17S
InChI InChI=1S/C27H38O17S/c1-11(28)36-9-18-20(22(38-13(3)30)24(40-15(5)32)26(35-8)42-18)44-27-25(41-16(6)33)23(39-14(4)31)21(37-12(2)29)19(43-27)10-45-17(7)34/h18-27H,9-10H2,1-8H3/t18-,19-,20-,21+,22+,23+,24-,25-,26-,27+/m1/s1
InChIKey YVMZLWUMQYYLOG-CLRDYZIGSA-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 666.649 g/mol
Sample ID 45089
Solvent CDCl3