![1-[2'-DEOXY-5'-O-(4,4'-DIMETHOXYTRITYL)-BETA-D-ERYTHRO-PENTOFURANOSYL]-6-[(2-METHYLPROPIONYL)-AMINO]-1H-IMIDAZO-[4,5-C]-PYRIDIN-4(5H)-ONE](/api/spectrum/CnjEG7NjPdQ/structure.png?h=300&w=458 "1-[2'-DEOXY-5'-O-(4,4'-DIMETHOXYTRITYL)-BETA-D-ERYTHRO-PENTOFURANOSYL]-6-[(2-METHYLPROPIONYL)-AMINO]-1H-IMIDAZO-[4,5-C]-PYRIDIN-4(5H)-ONE")
| SpectraBase Compound ID | 4JCD0eo9JpJ |
|---|---|
| InChI | InChI=1S/C36H38N4O7/c1-22(2)34(42)38-31-18-28-33(35(43)39-31)37-21-40(28)32-19-29(41)30(47-32)20-46-36(23-8-6-5-7-9-23,24-10-14-26(44-3)15-11-24)25-12-16-27(45-4)17-13-25/h5-18,21-22,29-30,32,41H,19-20H2,1-4H3,(H2,38,39,42,43)/t29-,30+,32+/m0/s1 |
| InChIKey | AQRLVHIGELXHEW-XAGDYJCDSA-N |
| Mol Weight | 638.7 g/mol |
| Molecular Formula | C36H38N4O7 |
| Exact Mass | 638.27405 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CnjEG7NjPdQ |
|---|---|
| Name | 1-[2'-DEOXY-5'-O-(4,4'-DIMETHOXYTRITYL)-BETA-D-ERYTHRO-PENTOFURANOSYL]-6-[(2-METHYLPROPIONYL)-AMINO]-1H-IMIDAZO-[4,5-C]-PYRIDIN-4(5H)-ONE |
| Compound Number | 8C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H38N4O7 |
| InChI | InChI=1S/C36H38N4O7/c1-22(2)34(42)38-31-18-28-33(35(43)39-31)37-21-40(28)32-19-29(41)30(47-32)20-46-36(23-8-6-5-7-9-23,24-10-14-26(44-3)15-11-24)25-12-16-27(45-4)17-13-25/h5-18,21-22,29-30,32,41H,19-20H2,1-4H3,(H2,38,39,42,43)/t29-,30+,32+/m0/s1 |
| InChIKey | AQRLVHIGELXHEW-XAGDYJCDSA-N |
| Literature Reference Author | F.SEELA,S.LAMPE |
| Literature Reference Citation | HELV.CHIM.ACTA,74,1790(1991) |
| Literature Reference DOI | 10.1002/hlca.19910740821 |
| Molecular Weight | 638.720 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWCS21275 |