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ETHYL-3,4,6-TRI-O-BENZYL-2-O-(2-CARBOXYBENZYL)-1-THIO-ALPHA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID 7WU2uUKsTA4
InChI InChI=1S/C37H40O7S/c1-2-45-37-35(43-25-30-20-12-13-21-31(30)36(38)39)34(42-24-29-18-10-5-11-19-29)33(41-23-28-16-8-4-9-17-28)32(44-37)26-40-22-27-14-6-3-7-15-27/h3-21,32-35,37H,2,22-26H2,1H3,(H,38,39)/t32-,33-,34+,35-,37-/m1/s1
InChIKey MSGADLTZRINJRP-DUSCDBLMSA-N
Mol Weight 628.8 g/mol
Molecular Formula C37H40O7S
Exact Mass 628.249475 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GJgSD7xCIEY
Name ETHYL-3,4,6-TRI-O-BENZYL-2-O-(2-CARBOXYBENZYL)-1-THIO-ALPHA-D-GLUCOPYRANOSIDE
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H40O7S
InChI InChI=1S/C37H40O7S/c1-2-45-37-35(43-25-30-20-12-13-21-31(30)36(38)39)34(42-24-29-18-10-5-11-19-29)33(41-23-28-16-8-4-9-17-28)32(44-37)26-40-22-27-14-6-3-7-15-27/h3-21,32-35,37H,2,22-26H2,1H3,(H,38,39)/t32-,33-,34+,35-,37-/m1/s1
InChIKey MSGADLTZRINJRP-DUSCDBLMSA-N
Literature Reference Author G.LEMANSKI,T.ZIEGLER
Literature Reference Citation EUR.J.ORG.CHEM.,2618(2006)
Molecular Weight 628.780 g/mol
Sample ID 43702
Solvent CDCl3