![1-[3-C-ALLYL-3-O-BENZYL-4-C-TOSYLOXYMETHYL-5-O-(4,4'-DIMETHOXYTRITYL)-BETA-D-RIBOFURANOSYL]-THYMINE](/api/spectrum/3hxxfUY0Dma/structure.png?h=300&w=458 "1-[3-C-ALLYL-3-O-BENZYL-4-C-TOSYLOXYMETHYL-5-O-(4,4'-DIMETHOXYTRITYL)-BETA-D-RIBOFURANOSYL]-THYMINE")
| SpectraBase Compound ID | 9Wrd1wsxjke |
|---|---|
| InChI | InChI=1S/C49H50N2O11S/c1-6-29-48(59-31-36-13-9-7-10-14-36)43(52)45(51-30-35(3)44(53)50-46(51)54)62-47(48,33-61-63(55,56)42-27-17-34(2)18-28-42)32-60-49(37-15-11-8-12-16-37,38-19-23-40(57-4)24-20-38)39-21-25-41(58-5)26-22-39/h6-28,30,43,45,52H,1,29,31-33H2,2-5H3,(H,50,53,54)/t43-,45+,47-,48-/m1/s1 |
| InChIKey | ODUVSMMKSMNELQ-RNXUPKHNSA-N |
| Mol Weight | 875.0 g/mol |
| Molecular Formula | C49H50N2O11S |
| Exact Mass | 874.313532 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3hxxfUY0Dma |
|---|---|
| Name | 1-[3-C-ALLYL-3-O-BENZYL-4-C-TOSYLOXYMETHYL-5-O-(4,4'-DIMETHOXYTRITYL)-BETA-D-RIBOFURANOSYL]-THYMINE |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H50N2O11S |
| InChI | InChI=1S/C49H50N2O11S/c1-6-29-48(59-31-36-13-9-7-10-14-36)43(52)45(51-30-35(3)44(53)50-46(51)54)62-47(48,33-61-63(55,56)42-27-17-34(2)18-28-42)32-60-49(37-15-11-8-12-16-37,38-19-23-40(57-4)24-20-38)39-21-25-41(58-5)26-22-39/h6-28,30,43,45,52H,1,29,31-33H2,2-5H3,(H,50,53,54)/t43-,45+,47-,48-/m1/s1 |
| InChIKey | ODUVSMMKSMNELQ-RNXUPKHNSA-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 | 875.003 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN22407 |