![(1S,3R,4R,7S)-7-(3-AZIDOPROPYL)-7-BENZYLOXY-1-HYDROXYMETHYL-3-(THYMIN-1-YL)-2,5-DIOXABICYCLO-[2.2.1]-HEPTANE](/api/spectrum/LZ3b8Nsx0FA/structure.png?h=300&w=458 "(1S,3R,4R,7S)-7-(3-AZIDOPROPYL)-7-BENZYLOXY-1-HYDROXYMETHYL-3-(THYMIN-1-YL)-2,5-DIOXABICYCLO-[2.2.1]-HEPTANE")
| SpectraBase Compound ID | CcAjk1H9VNf |
|---|---|
| InChI | InChI=1S/C21H25N5O6/c1-14-10-26(19(29)24-17(14)28)18-16-21(8-5-9-23-25-22,20(12-27,32-18)13-30-16)31-11-15-6-3-2-4-7-15/h2-4,6-7,10,16,18,27H,5,8-9,11-13H2,1H3,(H,24,28,29)/t16-,18+,20-,21-/m0/s1 |
| InChIKey | QFZRWAUFTJQXPC-OFCAXSSNSA-N |
| Mol Weight | 443.46 g/mol |
| Molecular Formula | C21H25N5O6 |
| Exact Mass | 443.180484 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LZ3b8Nsx0FA |
|---|---|
| Name | (1S,3R,4R,7S)-7-(3-AZIDOPROPYL)-7-BENZYLOXY-1-HYDROXYMETHYL-3-(THYMIN-1-YL)-2,5-DIOXABICYCLO-[2.2.1]-HEPTANE |
| Compound Number | 35 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H25N5O6 |
| InChI | InChI=1S/C21H25N5O6/c1-14-10-26(19(29)24-17(14)28)18-16-21(8-5-9-23-25-22,20(12-27,32-18)13-30-16)31-11-15-6-3-2-4-7-15/h2-4,6-7,10,16,18,27H,5,8-9,11-13H2,1H3,(H,24,28,29)/t16-,18+,20-,21-/m0/s1 |
| InChIKey | QFZRWAUFTJQXPC-OFCAXSSNSA-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 | 443.459 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN22428 |