![(1S,5R,6S)-6-[2-CYANOETHOXY-(DIISOPROPYLAMINO)-PHOSPHINOXY]-5-(4,4'-DIMETHOXYTRITYLOXYMETHYL)-1-(URACIL-1-YL)-3,8-DIOXABICYCLO-[3.2.1]-OCTANE](/api/spectrum/B7CsPJvEALX/structure.png?h=300&w=458 "(1S,5R,6S)-6-[2-CYANOETHOXY-(DIISOPROPYLAMINO)-PHOSPHINOXY]-5-(4,4'-DIMETHOXYTRITYLOXYMETHYL)-1-(URACIL-1-YL)-3,8-DIOXABICYCLO-[3.2.1]-OCTANE")
| SpectraBase Compound ID | BavKumSQeIH |
|---|---|
| InChI | InChI=1S/C41H49N4O9P/c1-29(2)45(30(3)4)55(52-24-10-22-42)53-36-25-40(44-23-21-37(46)43-38(44)47)28-50-26-39(36,54-40)27-51-41(31-11-8-7-9-12-31,32-13-17-34(48-5)18-14-32)33-15-19-35(49-6)20-16-33/h7-9,11-21,23,29-30,36H,10,24-28H2,1-6H3,(H,43,46,47)/t36-,39+,40-,55?/m1/s1 |
| InChIKey | BRHMFQVEYHWXLI-WNEXYZDHSA-N |
| Mol Weight | 772.8 g/mol |
| Molecular Formula | C41H49N4O9P |
| Exact Mass | 772.323716 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B7CsPJvEALX |
|---|---|
| Name | (1S,5R,6S)-6-[2-CYANOETHOXY-(DIISOPROPYLAMINO)-PHOSPHINOXY]-5-(4,4'-DIMETHOXYTRITYLOXYMETHYL)-1-(URACIL-1-YL)-3,8-DIOXABICYCLO-[3.2.1]-OCTANE |
| Compound Number | 17 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H49N4O9P |
| InChI | InChI=1S/C41H49N4O9P/c1-29(2)45(30(3)4)55(52-24-10-22-42)53-36-25-40(44-23-21-37(46)43-38(44)47)28-50-26-39(36,54-40)27-51-41(31-11-8-7-9-12-31,32-13-17-34(48-5)18-14-32)33-15-19-35(49-6)20-16-33/h7-9,11-21,23,29-30,36H,10,24-28H2,1-6H3,(H,43,46,47)/t36-,39+,40-,55?/m1/s1 |
| InChIKey | BRHMFQVEYHWXLI-WNEXYZDHSA-N |
| Literature Reference Author | L.KVAERNO,J.WENGEL |
| Literature Reference Citation | J.ORG.CHEM.,66,5498(2001) |
| Literature Reference DOI | 10.1021/jo015664l |
| Solvent | CDCl3 |
| Source File Reference | UWLU27284 |