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Acetyl-2,3,4,6-tetra-o-acetyl-5-thio-D-glucopyranoside

View entire compound with spectra: 1 NMR, and 1 FTIR

Acetyl-2,3,4,6-tetra-o-acetyl-5-thio-D-glucopyranoside
SpectraBase Compound ID 9EtK5quSsqp
InChI InChI=1S/C16H22O10S/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21/h12-16H,6H2,1-5H3/t12-,13-,14+,15-,16-/m1/s1
InChIKey RFPPVTQRDZKNPS-IBEHDNSVSA-N
Mol Weight 406.4 g/mol
Molecular Formula C16H22O10S
Exact Mass 406.093368 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AFYtFSptyix
Name Acetyl-2,3,4,6-tetra-o-acetyl-5-thio-D-glucopyranoside
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 406.093368072 u
Formula C16H22O10S
InChI InChI=1S/C16H22O10S/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21/h12-16H,6H2,1-5H3/t12-,13-,14+,15-,16-/m1/s1
InChIKey RFPPVTQRDZKNPS-IBEHDNSVSA-N
Molecular Weight 406.402 g/mol
SMILES [C@]1([C@@]([C@@](OC(C)=O)([C@@]([C@](S1)(COC(=O)C)[H])(OC(=O)C)[H])[H])(OC(C)=O)[H])(OC(C)=O)[H]