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14-(PARA-TOLUENESULFINYL)-3-THIOXO-TABERSONINE
SpectraBase Compound ID 4kZRjqH0SGA
InChI InChI=1S/C28H28N2O2S2/c1-4-27-15-19(25(31)32-3)23-28(20-7-5-6-8-21(20)29-23)13-14-30(26(27)28)24(33)22(16-27)34-18-11-9-17(2)10-12-18/h5-12,16,26,29H,4,13-15H2,1-3H3/t26-,27+,28-/m0/s1
InChIKey XITRBMHDLYCKMO-IARZGTGTSA-N
Mol Weight 488.66 g/mol
Molecular Formula C28H28N2O2S2
Exact Mass 488.15922 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B0vhGGOMBKP
Name 14-(PARA-TOLUENESULFINYL)-3-THIOXO-TABERSONINE
Compound Number 41
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H28N2O2S2
InChI InChI=1S/C28H28N2O2S2/c1-4-27-15-19(25(31)32-3)23-28(20-7-5-6-8-21(20)29-23)13-14-30(26(27)28)24(33)22(16-27)34-18-11-9-17(2)10-12-18/h5-12,16,26,29H,4,13-15H2,1-3H3/t26-,27+,28-/m0/s1
InChIKey XITRBMHDLYCKMO-IARZGTGTSA-N
Literature Reference Author G.KALAUS,I.GREINER,M.KAJTAR-PEREDY,J.BRLIK,L.SZABO,C.SZANTAY
Literature Reference Citation J.ORG.CHEM.,58,1434(1993)
Literature Reference DOI 10.1021/jo00058a025
Molecular Weight 488.663 g/mol
Solvent CDCl3
Source File Reference UWCS20122