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ETHYL-6-O-ACETYL-2-O-BENZOYL-3,4-DI-O-BENZYL-1-THIO-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID 4kZmuSqGqyM
InChI InChI=1S/C31H34O7S/c1-3-39-31-29(38-30(33)25-17-11-6-12-18-25)28(36-20-24-15-9-5-10-16-24)27(26(37-31)21-34-22(2)32)35-19-23-13-7-4-8-14-23/h4-18,26-29,31H,3,19-21H2,1-2H3/t26-,27-,28+,29-,31+/m1/s1
InChIKey IQAPZYSDHXGMTI-KBMGTAGUSA-N
Mol Weight 550.7 g/mol
Molecular Formula C31H34O7S
Exact Mass 550.202525 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DJn1xeiu07c
Name ETHYL-6-O-ACETYL-2-O-BENZOYL-3,4-DI-O-BENZYL-1-THIO-BETA-D-GLUCOPYRANOSIDE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H34O7S
InChI InChI=1S/C31H34O7S/c1-3-39-31-29(38-30(33)25-17-11-6-12-18-25)28(36-20-24-15-9-5-10-16-24)27(26(37-31)21-34-22(2)32)35-19-23-13-7-4-8-14-23/h4-18,26-29,31H,3,19-21H2,1-2H3/t26-,27-,28+,29-,31+/m1/s1
InChIKey IQAPZYSDHXGMTI-KBMGTAGUSA-N
Literature Reference Author R.GEURTSEN,F.COTE,M.G.HAHN,G.J.BOONS
Literature Reference Citation J.ORG.CHEM.,64,7828(1999)
Literature Reference DOI 10.1021/jo990836o
Molecular Weight 550.667 g/mol
Sample ID 59956
Solvent CDCl3