![(1R,3R,4R,7S)-7-(3-ACETOXYPROPYL)-1-(4,4'-DIMETHOXYTRITYL)-OXYMETHYL-7-HYDROXY-3-(THYMIN-1-YL)-2,5-DIOXABICYCLO-[2.2.1]-HEPTANE](/api/spectrum/5S5RtrBSe08/structure.png?h=300&w=458 "(1R,3R,4R,7S)-7-(3-ACETOXYPROPYL)-1-(4,4'-DIMETHOXYTRITYL)-OXYMETHYL-7-HYDROXY-3-(THYMIN-1-YL)-2,5-DIOXABICYCLO-[2.2.1]-HEPTANE")
| SpectraBase Compound ID | 472nbhuXUHn |
|---|---|
| InChI | InChI=1S/C37H40N2O10/c1-24-21-39(34(42)38-32(24)41)33-31-36(43,19-8-20-46-25(2)40)35(49-33,22-47-31)23-48-37(26-9-6-5-7-10-26,27-11-15-29(44-3)16-12-27)28-13-17-30(45-4)18-14-28/h5-7,9-18,21,31,33,43H,8,19-20,22-23H2,1-4H3,(H,38,41,42)/t31-,33+,35+,36-/m0/s1 |
| InChIKey | WYMOMUPKDZZCNY-RLLSBKMESA-N |
| Mol Weight | 672.7 g/mol |
| Molecular Formula | C37H40N2O10 |
| Exact Mass | 672.268295 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5S5RtrBSe08 |
|---|---|
| Name | (1R,3R,4R,7S)-7-(3-ACETOXYPROPYL)-1-(4,4'-DIMETHOXYTRITYL)-OXYMETHYL-7-HYDROXY-3-(THYMIN-1-YL)-2,5-DIOXABICYCLO-[2.2.1]-HEPTANE |
| Compound Number | 26 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H40N2O10 |
| InChI | InChI=1S/C37H40N2O10/c1-24-21-39(34(42)38-32(24)41)33-31-36(43,19-8-20-46-25(2)40)35(49-33,22-47-31)23-48-37(26-9-6-5-7-10-26,27-11-15-29(44-3)16-12-27)28-13-17-30(45-4)18-14-28/h5-7,9-18,21,31,33,43H,8,19-20,22-23H2,1-4H3,(H,38,41,42)/t31-,33+,35+,36-/m0/s1 |
| InChIKey | WYMOMUPKDZZCNY-RLLSBKMESA-N |
| Literature Reference Author | M.MELDGAARD,F.G.HANSEN,J.WENGEL |
| Literature Reference Citation | J.ORG.CHEM.,69,6310(2004) |
| Literature Reference DOI | 10.1021/jo049159a |
| Molecular Weight | 672.732 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN22420 |