![(1S,3R,4R,7S)-7-BENZYLOXY-7-(3-BENZYLOXY)-PROPYL-1-HYDROXYMETHYL-3-(THYMIN-1-YL)-2,5-DIOXABICYCLO-[2.2.1]-HEPTANE](/api/spectrum/FvxFOh2PDBh/structure.png?h=300&w=458 "(1S,3R,4R,7S)-7-BENZYLOXY-7-(3-BENZYLOXY)-PROPYL-1-HYDROXYMETHYL-3-(THYMIN-1-YL)-2,5-DIOXABICYCLO-[2.2.1]-HEPTANE")
| SpectraBase Compound ID | 9vcmOZQhcQe |
|---|---|
| InChI | InChI=1S/C28H32N2O7/c1-20-15-30(26(33)29-24(20)32)25-23-28(27(18-31,37-25)19-35-23,36-17-22-11-6-3-7-12-22)13-8-14-34-16-21-9-4-2-5-10-21/h2-7,9-12,15,23,25,31H,8,13-14,16-19H2,1H3,(H,29,32,33)/t23-,25+,27-,28-/m0/s1 |
| InChIKey | KYRIVCLFBSDJHL-WPLJCJQWSA-N |
| Mol Weight | 508.6 g/mol |
| Molecular Formula | C28H32N2O7 |
| Exact Mass | 508.220951 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FvxFOh2PDBh |
|---|---|
| Name | (1S,3R,4R,7S)-7-BENZYLOXY-7-(3-BENZYLOXY)-PROPYL-1-HYDROXYMETHYL-3-(THYMIN-1-YL)-2,5-DIOXABICYCLO-[2.2.1]-HEPTANE |
| Compound Number | 23 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H32N2O7 |
| InChI | InChI=1S/C28H32N2O7/c1-20-15-30(26(33)29-24(20)32)25-23-28(27(18-31,37-25)19-35-23,36-17-22-11-6-3-7-12-22)13-8-14-34-16-21-9-4-2-5-10-21/h2-7,9-12,15,23,25,31H,8,13-14,16-19H2,1H3,(H,29,32,33)/t23-,25+,27-,28-/m0/s1 |
| InChIKey | KYRIVCLFBSDJHL-WPLJCJQWSA-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 | 508.571 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN22417 |