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4-CHLORO-7-(2-DEOXY-3,5-DI-O-(4-TOLUOYL)-BETA-D-ERYTHRO-PENTOFURANOSYL)-2-METHOXY-7H-PYRROLO-[2,3-D]-PYRIMIDINE
SpectraBase Compound ID K2OLABq6EmQ
InChI InChI=1S/C28H30ClN3O4/c1-18-4-8-20(9-5-18)15-34-17-24-23(35-16-21-10-6-19(2)7-11-21)14-25(36-24)32-13-12-22-26(29)30-28(33-3)31-27(22)32/h4-13,23-25H,14-17H2,1-3H3/t23-,24+,25+/m1/s1
InChIKey ZCWVAEWMLPZURK-DSITVLBTSA-N
Mol Weight 508.02 g/mol
Molecular Formula C28H30ClN3O4
Exact Mass 507.192484 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EixJBeA9Aaw
Name 4-CHLORO-7-(2-DEOXY-3,5-DI-O-(4-TOLUOYL)-BETA-D-ERYTHRO-PENTOFURANOSYL)-2-METHOXY-7H-PYRROLO-[2,3-D]-PYRIMIDINE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H30ClN3O4
InChI InChI=1S/C28H30ClN3O4/c1-18-4-8-20(9-5-18)15-34-17-24-23(35-16-21-10-6-19(2)7-11-21)14-25(36-24)32-13-12-22-26(29)30-28(33-3)31-27(22)32/h4-13,23-25H,14-17H2,1-3H3/t23-,24+,25+/m1/s1
InChIKey ZCWVAEWMLPZURK-DSITVLBTSA-N
Literature Reference Author F.SEELA,Y.CHEN,U.BINDIG,Z.KAZIMIERCZUK
Literature Reference Citation HELV.CHIM.ACTA,77,194(1994)
Literature Reference DOI 10.1002/hlca.19940770122
Molecular Weight 508.017 g/mol
Solvent DMSO-D6
Source File Reference UWVP5350