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T-Butyl-1-thio-2,3,4,6-tetra-o-benzoyl-.alpha.-D-glucopyranoside

View entire compound with spectra: 1 NMR

T-Butyl-1-thio-2,3,4,6-tetra-o-benzoyl-.alpha.-D-glucopyranoside
SpectraBase Compound ID 8sa3m3vIPR8
InChI InChI=1S/C38H36O9S/c1-38(2,3)48-37-32(47-36(42)28-22-14-7-15-23-28)31(46-35(41)27-20-12-6-13-21-27)30(45-34(40)26-18-10-5-11-19-26)29(44-37)24-43-33(39)25-16-8-4-9-17-25/h4-23,29-32,37H,24H2,1-3H3/t29-,30+,31-,32-,37+/m0/s1
InChIKey QVKMBIALMIUWCF-SEUZBBEZSA-N
Mol Weight 668.8 g/mol
Molecular Formula C38H36O9S
Exact Mass 668.208004 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ybFUAAuhBE
Name T-Butyl-1-thio-2,3,4,6-tetra-o-benzoyl-.alpha.-D-glucopyranoside
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 668.208003904 u
Formula C38H36O9S
InChI InChI=1S/C38H36O9S/c1-38(2,3)48-37-32(47-36(42)28-22-14-7-15-23-28)31(46-35(41)27-20-12-6-13-21-27)30(45-34(40)26-18-10-5-11-19-26)29(44-37)24-43-33(39)25-16-8-4-9-17-25/h4-23,29-32,37H,24H2,1-3H3/t29-,30+,31-,32-,37+/m0/s1
InChIKey QVKMBIALMIUWCF-SEUZBBEZSA-N
Molecular Weight 668.757 g/mol
SMILES [C@@]1([C@@](O[C@@]([C@]([C@]1(OC(=O)C1=CC=CC=C1)[H])(OC(=O)C1=CC=CC=C1)[H])(SC(C)(C)C)[H])(COC(=O)C=1C=CC=CC1)[H])(OC(=O)C1=CC=CC=C1)[H]