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ETHYL-4-O-ACETYL-2,6-DI-O-BENZOYL-3-O-(2,3,4,6-TETRA-O-BENZYL-ALPHA-D-GALACTOPYRANOSYL)-1-THIO-BETA-D-GALACTOPYRANOSIDE
SpectraBase Compound ID 8NkgHYoSM2
InChI InChI=1S/C58H60O13S/c1-3-72-58-54(70-56(61)46-32-20-9-21-33-46)52(50(67-40(2)59)48(69-58)39-66-55(60)45-30-18-8-19-31-45)71-57-53(65-37-44-28-16-7-17-29-44)51(64-36-43-26-14-6-15-27-43)49(63-35-42-24-12-5-13-25-42)47(68-57)38-62-34-41-22-10-4-11-23-41/h4-33,47-54,57-58H,3,34-39H2,1-2H3/t47-,48-,49+,50+,51+,52+,53-,54-,57-,58+/m1/s1
InChIKey SKWOXWQAVBOFTD-MHVGQWSBSA-N
Mol Weight 997.2 g/mol
Molecular Formula C58H60O13S
Exact Mass 996.375463 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3BICmJljta3
Name ETHYL-4-O-ACETYL-2,6-DI-O-BENZOYL-3-O-(2,3,4,6-TETRA-O-BENZYL-ALPHA-D-GALACTOPYRANOSYL)-1-THIO-BETA-D-GALACTOPYRANOSIDE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C58H60O13S
InChI InChI=1S/C58H60O13S/c1-3-72-58-54(70-56(61)46-32-20-9-21-33-46)52(50(67-40(2)59)48(69-58)39-66-55(60)45-30-18-8-19-31-45)71-57-53(65-37-44-28-16-7-17-29-44)51(64-36-43-26-14-6-15-27-43)49(63-35-42-24-12-5-13-25-42)47(68-57)38-62-34-41-22-10-4-11-23-41/h4-33,47-54,57-58H,3,34-39H2,1-2H3/t47-,48-,49+,50+,51+,52+,53-,54-,57-,58+/m1/s1
InChIKey SKWOXWQAVBOFTD-MHVGQWSBSA-N
Literature Reference Author T.ZHU,G.J.BOONS
Literature Reference Citation J.CHEM.SOC.PERKIN-1,857(1998)
Literature Reference DOI 10.1039/a708006i
Molecular Weight 997.167 g/mol
Solvent CDCl3
Source File Reference UWSP741