![(1R,3R,4R,7S)-1-(4,4'-DIMETHOXYTRITYL)-OXYMETHYL-7-HYDROXY-7-(3-HYDROXY)-PROPYL-3-(THYMIN-1-YL)-2,5-DIOXABICYCLO-[2.2.1]-HEPTANE](/api/spectrum/18CHg7dZKI7/structure.png?h=300&w=458 "(1R,3R,4R,7S)-1-(4,4'-DIMETHOXYTRITYL)-OXYMETHYL-7-HYDROXY-7-(3-HYDROXY)-PROPYL-3-(THYMIN-1-YL)-2,5-DIOXABICYCLO-[2.2.1]-HEPTANE")
| SpectraBase Compound ID | 9BNuTQlHcIs |
|---|---|
| InChI | InChI=1S/C35H38N2O9/c1-23-20-37(32(40)36-30(23)39)31-29-34(41,18-7-19-38)33(46-31,21-44-29)22-45-35(24-8-5-4-6-9-24,25-10-14-27(42-2)15-11-25)26-12-16-28(43-3)17-13-26/h4-6,8-17,20,29,31,38,41H,7,18-19,21-22H2,1-3H3,(H,36,39,40)/t29-,31+,33+,34-/m0/s1 |
| InChIKey | XWXMNTHAARAWDI-VDFRKXIPSA-N |
| Mol Weight | 630.7 g/mol |
| Molecular Formula | C35H38N2O9 |
| Exact Mass | 630.257731 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 18CHg7dZKI7 |
|---|---|
| Name | (1R,3R,4R,7S)-1-(4,4'-DIMETHOXYTRITYL)-OXYMETHYL-7-HYDROXY-7-(3-HYDROXY)-PROPYL-3-(THYMIN-1-YL)-2,5-DIOXABICYCLO-[2.2.1]-HEPTANE |
| Compound Number | 25 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H38N2O9 |
| InChI | InChI=1S/C35H38N2O9/c1-23-20-37(32(40)36-30(23)39)31-29-34(41,18-7-19-38)33(46-31,21-44-29)22-45-35(24-8-5-4-6-9-24,25-10-14-27(42-2)15-11-25)26-12-16-28(43-3)17-13-26/h4-6,8-17,20,29,31,38,41H,7,18-19,21-22H2,1-3H3,(H,36,39,40)/t29-,31+,33+,34-/m0/s1 |
| InChIKey | XWXMNTHAARAWDI-VDFRKXIPSA-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 | 630.695 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN22419 |