![2-ISOBUTYRYLAMINO-6-[2-DEOXY-5-O-(4,4'-DIMETHOXYTRITYL)-BETA-D-ERYTHRO-PENTOFURANOSYL]-7H-PYRROLO-[2,3-D]-PYRIMIDIN-4(3H)-ONE](/api/spectrum/7EmDqnVI6Lg/structure.png?h=300&w=458 "2-ISOBUTYRYLAMINO-6-[2-DEOXY-5-O-(4,4'-DIMETHOXYTRITYL)-BETA-D-ERYTHRO-PENTOFURANOSYL]-7H-PYRROLO-[2,3-D]-PYRIMIDIN-4(3H)-ONE")
| SpectraBase Compound ID | 3jJKJoONtfz |
|---|---|
| InChI | InChI=1S/C36H38N4O7/c1-21(2)33(42)39-35-38-32-27(34(43)40-35)18-28(37-32)30-19-29(41)31(47-30)20-46-36(22-8-6-5-7-9-22,23-10-14-25(44-3)15-11-23)24-12-16-26(45-4)17-13-24/h5-18,21,29-31,41H,19-20H2,1-4H3,(H3,37,38,39,40,42,43)/t29-,30+,31+/m0/s1 |
| InChIKey | WGIIDRPHBJFODV-OJDZSJEKSA-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 | 7EmDqnVI6Lg |
|---|---|
| Name | 2-ISOBUTYRYLAMINO-6-[2-DEOXY-5-O-(4,4'-DIMETHOXYTRITYL)-BETA-D-ERYTHRO-PENTOFURANOSYL]-7H-PYRROLO-[2,3-D]-PYRIMIDIN-4(3H)-ONE |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H38N4O7 |
| InChI | InChI=1S/C36H38N4O7/c1-21(2)33(42)39-35-38-32-27(34(43)40-35)18-28(37-32)30-19-29(41)31(47-30)20-46-36(22-8-6-5-7-9-22,23-10-14-25(44-3)15-11-23)24-12-16-26(45-4)17-13-24/h5-18,21,29-31,41H,19-20H2,1-4H3,(H3,37,38,39,40,42,43)/t29-,30+,31+/m0/s1 |
| InChIKey | WGIIDRPHBJFODV-OJDZSJEKSA-N |
| Literature Reference Author | F.SEELA,H.DEBELAK |
| Literature Reference Citation | J.ORG.CHEM.,66,3303(2001) |
| Literature Reference DOI | 10.1021/jo001498q |
| Molecular Weight | 638.720 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMS26788 |