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1-[2'-DEOXY-5'-O-(4,4'-DIMRTHOXYTRIPHENYLMETHYL)-3'-O-BETA-D-THREO-PENTOFURANOSYL]-THYMINE-3'-(3-CARBOXYPROPANOATE)
SpectraBase Compound ID 8nY3g2MrNiS
InChI InChI=1S/C35H36N2O10/c1-22-20-37(34(42)36-33(22)41)30-19-28(47-32(40)18-17-31(38)39)29(46-30)21-45-35(23-7-5-4-6-8-23,24-9-13-26(43-2)14-10-24)25-11-15-27(44-3)16-12-25/h4-16,20,28-30H,17-19,21H2,1-3H3,(H,38,39)(H,36,41,42)/t28-,29-,30-/m1/s1
InChIKey ZGIVSINMMBIEBQ-IDZRBWSNSA-N
Mol Weight 644.7 g/mol
Molecular Formula C35H36N2O10
Exact Mass 644.236995 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JElRAdk1J6S
Name 1-[2'-DEOXY-5'-O-(4,4'-DIMRTHOXYTRIPHENYLMETHYL)-3'-O-BETA-D-THREO-PENTOFURANOSYL]-THYMINE-3'-(3-CARBOXYPROPANOATE)
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H36N2O10
InChI InChI=1S/C35H36N2O10/c1-22-20-37(34(42)36-33(22)41)30-19-28(47-32(40)18-17-31(38)39)29(46-30)21-45-35(23-7-5-4-6-8-23,24-9-13-26(43-2)14-10-24)25-11-15-27(44-3)16-12-25/h4-16,20,28-30H,17-19,21H2,1-3H3,(H,38,39)(H,36,41,42)/t28-,29-,30-/m1/s1
InChIKey ZGIVSINMMBIEBQ-IDZRBWSNSA-N
Literature Reference Author H.ROSEMEYER,F.SEELA
Literature Reference Citation HELV.CHIM.ACTA,74,748(1991)
Literature Reference DOI 10.1002/hlca.19910740408
Molecular Weight 644.678 g/mol
Solvent DMSO-D6
Source File Reference UWVP5487