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7-[2'-DEOXY-3',5'-DI-O-(PARA-TOLUOYL)-ALPHA-D-ERYTHROPENTOFURANOSYL]-1-ISOPROPYL-3-METHYLPYRROLO-[2,3-D]-PYRIMIDINE-2,4-DIONE
SpectraBase Compound ID IgfOExYE1DM
InChI InChI=1S/C31H33N3O7/c1-18(2)34-27-23(28(35)32(5)31(34)38)14-15-33(27)26-16-24(41-30(37)22-12-8-20(4)9-13-22)25(40-26)17-39-29(36)21-10-6-19(3)7-11-21/h6-15,18,24-26H,16-17H2,1-5H3/t24-,25+,26+/m1/s1
InChIKey KHTDKKVKFKTITP-ZNZIZOMTSA-N
Mol Weight 559.6 g/mol
Molecular Formula C31H33N3O7
Exact Mass 559.23185 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID UlfTixu47v
Name 7-[2'-DEOXY-3',5'-DI-O-(PARA-TOLUOYL)-BETA-D-ERYTHROPENTOFURANOSYL]-1-ISOPROPYL-3-METHYLPYRROLO-[2,3-D]-PYRIMIDINE-2,4-DIONE
Compound Number 9B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H33N3O7
InChI InChI=1S/C31H33N3O7/c1-18(2)34-27-23(28(35)32(5)31(34)38)14-15-33(27)26-16-24(41-30(37)22-12-8-20(4)9-13-22)25(40-26)17-39-29(36)21-10-6-19(3)7-11-21/h6-15,18,24-26H,16-17H2,1-5H3/t24-,25+,26+/m1/s1
InChIKey KHTDKKVKFKTITP-ZNZIZOMTSA-N
Literature Reference Author F.SEELA,U.KRETSCHMER
Literature Reference Citation J.HETCYCL.CHEM.,27,479(1990)
Literature Reference DOI 10.1002/jhet.5570270302
Molecular Weight 559.619 g/mol
Solvent DMSO-D6
Source File Reference UWCP3028