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[2,3,6-TRI-O-ACETYL-4-O-(2',3',4',6'-TETRA-O-ACETYL-BETA-D-GALACTOPYRANOSYL)-BETA-D-GLUCOPYRANOSYL]-THIOMETHYLFERROCENE
SpectraBase Compound ID COBwtclzTp
InChI InChI=1S/C32H37O17S.C5H.Fe/c1-15(33)40-12-23-25(42-17(3)35)27(43-18(4)36)29(45-20(6)38)31(47-23)49-26-24(13-41-16(2)34)48-32(50-14-22-10-8-9-11-22)30(46-21(7)39)28(26)44-19(5)37;1-2-4-5-3-1;/h23-32H,12-14H2,1-7H3;1H;/t23-,24-,25+,26-,27+,28+,29-,30-,31+,32+;;/m1../s1
InChIKey JTFPCKCPQVAQPK-RZBPEXGWSA-N
Mol Weight 842.6 g/mol
Molecular Formula C37H38FeO17S
Exact Mass 842.117907 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ASd5wZifKpI
Name [2,3,6-TRI-O-ACETYL-4-O-(2',3',4',6'-TETRA-O-ACETYL-BETA-D-GALACTOPYRANOSYL)-BETA-D-GLUCOPYRANOSYL]-THIOMETHYLFERROCENE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H38FeO17S
InChI InChI=1S/C32H37O17S.C5H.Fe/c1-15(33)40-12-23-25(42-17(3)35)27(43-18(4)36)29(45-20(6)38)31(47-23)49-26-24(13-41-16(2)34)48-32(50-14-22-10-8-9-11-22)30(46-21(7)39)28(26)44-19(5)37;1-2-4-5-3-1;/h23-32H,12-14H2,1-7H3;1H;/t23-,24-,25+,26-,27+,28+,29-,30-,31+,32+;;/m1../s1
InChIKey JTFPCKCPQVAQPK-RZBPEXGWSA-N
Literature Reference Author J.M.CASAS-SOLVAS,A.VARGAS-BERENGUEL,L.F.CAPITAN-VALLVEY,F.SA NTOYO-GONZALEZ
Literature Reference Citation ORG.LETTERS,6,3687(2004)
Literature Reference DOI 10.1021/ol048665j
Molecular Weight 842.606 g/mol
Sample ID 52304
Solvent CDCl3