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Tria(p-toluenesulfonyl) mannosan

View entire compound with spectra: 1 NMR

Tria(p-toluenesulfonyl) mannosan
SpectraBase Compound ID 7vp1zyfrlkD
InChI InChI=1S/C27H28O11S3/c1-17-4-10-20(11-5-17)39(28,29)36-24-23-16-34-27(35-23)26(38-41(32,33)22-14-8-19(3)9-15-22)25(24)37-40(30,31)21-12-6-18(2)7-13-21/h4-15,23-27H,16H2,1-3H3
InChIKey ZKISXZQWCDWFQM-UHFFFAOYSA-N
Mol Weight 624.69 g/mol
Molecular Formula C27H28O11S3
Exact Mass 624.079375 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EjRMJ5JZt2Z
Name Tria(p-toluenesulfonyl) mannosan
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 624.079375233 u
Formula C27H28O11S3
InChI InChI=1S/C27H28O11S3/c1-17-4-10-20(11-5-17)39(28,29)36-24-23-16-34-27(35-23)26(38-41(32,33)22-14-8-19(3)9-15-22)25(24)37-40(30,31)21-12-6-18(2)7-13-21/h4-15,23-27H,16H2,1-3H3
InChIKey ZKISXZQWCDWFQM-UHFFFAOYSA-N
Molecular Weight 624.690 g/mol
SMILES C1(C2OC(C(C1OS(=O)(C1=CC=C(C=C1)C)=O)OS(=O)(=O)C1=CC=C(C=C1)C)OC2)OS(=O)(=O)C1=CC=C(C=C1)C