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7-[2'-DEOXY-3',5'-DI-O-(PARA-TOLUOYL)-BETA-D-ERYTHRO-PENTOFURANOSYL]-4-(METHYLSULFONYL)-7H-PYRROLO-[2,3-D]-PYRIMIDINE
SpectraBase Compound ID 6d0nuq6sw0R
InChI InChI=1S/C28H27N3O7S/c1-17-4-8-19(9-5-17)27(32)36-15-23-22(38-28(33)20-10-6-18(2)7-11-20)14-24(37-23)31-13-12-21-25(31)29-16-30-26(21)39(3,34)35/h4-13,16,22-24H,14-15H2,1-3H3/t22-,23+,24+/m0/s1
InChIKey JJSYZEQYXRVNKR-RBZQAINGSA-N
Mol Weight 549.6 g/mol
Molecular Formula C28H27N3O7S
Exact Mass 549.156971 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9UrUN73gUf5
Name 7-[2'-DEOXY-3',5'-DI-O-(PARA-TOLUOYL)-BETA-D-ERYTHRO-PENTOFURANOSYL]-4-(METHYLSULFONYL)-7H-PYRROLO-[2,3-D]-PYRIMIDINE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H27N3O7S
InChI InChI=1S/C28H27N3O7S/c1-17-4-8-19(9-5-17)27(32)36-15-23-22(38-28(33)20-10-6-18(2)7-11-20)14-24(37-23)31-13-12-21-25(31)29-16-30-26(21)39(3,34)35/h4-13,16,22-24H,14-15H2,1-3H3/t22-,23+,24+/m0/s1
InChIKey JJSYZEQYXRVNKR-RBZQAINGSA-N
Literature Reference Author F.SEELA,K.KAISER,U.BINDIG
Literature Reference Citation HELV.CHIM.ACTA,72,868(1989)
Literature Reference DOI 10.1002/hlca.19890720503
Molecular Weight 549.598 g/mol
Solvent DMSO-D6
Source File Reference UWED14068