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1,3,5-Triacetyl-4-tosyl sedoheptulesan

View entire compound with spectra: 1 NMR

1,3,5-Triacetyl-4-tosyl sedoheptulesan
SpectraBase Compound ID 9HcpLo1eTfG
InChI InChI=1S/C20H26O12S/c1-11-5-7-15(8-6-11)33(26,27)32-18-17(29-13(3)23)16(9-21)31-20(25,10-28-12(2)22)19(18)30-14(4)24/h5-8,16-19,21,25H,9-10H2,1-4H3/t16-,17-,18-,19+,20-/m1/s1
InChIKey JKQHPXLPHVBCDC-LTFPLMDUSA-N
Mol Weight 490.48 g/mol
Molecular Formula C20H26O12S
Exact Mass 490.114497 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KTKwEBpSZXG
Name 1,3,5-Triacetyl-4-tosyl sedoheptulesan
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 490.114497439 u
Formula C20H26O12S
InChI InChI=1S/C20H26O12S/c1-11-5-7-15(8-6-11)33(26,27)32-18-17(29-13(3)23)16(9-21)31-20(25,10-28-12(2)22)19(18)30-14(4)24/h5-8,16-19,21,25H,9-10H2,1-4H3/t16-,17-,18-,19+,20-/m1/s1
InChIKey JKQHPXLPHVBCDC-LTFPLMDUSA-N
Molecular Weight 490.476 g/mol
SMILES [C@@]1([C@](O[C@]([C@]([C@@]1(OS(=O)(=O)C1=CC=C(C=C1)C)[H])(OC(C)=O)[H])(O)COC(C)=O)(CO)[H])(OC(C)=O)[H]