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1-[3-O-BENZYL-2,4-BIS-O-[(2,4)-DI-CHLORO-PHENOXY)-(THIOCARBONYL)]-6-O-TRITYLBETA-D-ALLO-PYRANISYL]-THYMINE
SpectraBase Compound ID I9M77Dqdbx2
InChI InChI=1S/C51H40Cl4N2O9S2/c1-31-28-57(48(59)56-46(31)58)47-45(66-50(68)64-41-25-23-37(53)27-39(41)55)44(60-29-32-14-6-2-7-15-32)43(65-49(67)63-40-24-22-36(52)26-38(40)54)42(62-47)30-61-51(33-16-8-3-9-17-33,34-18-10-4-11-19-34)35-20-12-5-13-21-35/h2-28,42-45,47H,29-30H2,1H3,(H,56,58,59)/t42-,43-,44-,45-,47-/m0/s1
InChIKey VAECTJODBUCLPH-KRLHNBHHSA-N
Mol Weight 1030.8 g/mol
Molecular Formula C51H40Cl4N2O9S2
Exact Mass 1028.092934 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FNEL0A3HEjb
Name 1-[3-O-BENZYL-2,4-BIS-O-[(2,4)-DI-CHLORO-PHENOXY)-(THIOCARBONYL)]-6-O-TRITYLBETA-D-ALLO-PYRANISYL]-THYMINE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C51H40Cl4N2O9S2
InChI InChI=1S/C51H40Cl4N2O9S2/c1-31-28-57(48(59)56-46(31)58)47-45(66-50(68)64-41-25-23-37(53)27-39(41)55)44(60-29-32-14-6-2-7-15-32)43(65-49(67)63-40-24-22-36(52)26-38(40)54)42(62-47)30-61-51(33-16-8-3-9-17-33,34-18-10-4-11-19-34)35-20-12-5-13-21-35/h2-28,42-45,47H,29-30H2,1H3,(H,56,58,59)/t42-,43-,44-,45-,47-/m0/s1
InChIKey VAECTJODBUCLPH-KRLHNBHHSA-N
Literature Reference Author K.AUGUSTYNS,J.ROZENSKI,A.VANAERSCHOT,G.JANSSEN,P.HERDEWIJN
Literature Reference Citation J.ORG.CHEM.,58,2977(1993)
Literature Reference DOI 10.1021/jo00063a013
Molecular Weight 1030.819 g/mol
Solvent CDCl3
Source File Reference UWRU761