![5-O-[5'-(4,4'-DIMETHOXYTRITYL)-3'-O-THYMIDYL-METHYL]-THYMIDINE](/api/spectrum/FTQsHffSt55/structure.png?h=300&w=458 "5-O-[5'-(4,4'-DIMETHOXYTRITYL)-3'-O-THYMIDYL-METHYL]-THYMIDINE")
| SpectraBase Compound ID | 8f3Ef2pX5pt |
|---|---|
| InChI | InChI=1S/C42H46N4O12/c1-25-20-45(40(50)43-38(25)48)36-18-32(47)34(57-36)22-54-24-55-33-19-37(46-21-26(2)39(49)44-41(46)51)58-35(33)23-56-42(27-8-6-5-7-9-27,28-10-14-30(52-3)15-11-28)29-12-16-31(53-4)17-13-29/h5-17,20-21,32-37,47H,18-19,22-24H2,1-4H3,(H,43,48,50)(H,44,49,51)/t32-,33-,34+,35+,36+,37+/m0/s1 |
| InChIKey | LQACEVMKAGZPGJ-SOTIRQLOSA-N |
| Mol Weight | 798.8 g/mol |
| Molecular Formula | C42H46N4O12 |
| Exact Mass | 798.311223 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FTQsHffSt55 |
|---|---|
| Name | 5-O-[5'-(4,4'-DIMETHOXYTRITYL)-3'-O-THYMIDYL-METHYL]-THYMIDINE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H46N4O12 |
| InChI | InChI=1S/C42H46N4O12/c1-25-20-45(40(50)43-38(25)48)36-18-32(47)34(57-36)22-54-24-55-33-19-37(46-21-26(2)39(49)44-41(46)51)58-35(33)23-56-42(27-8-6-5-7-9-27,28-10-14-30(52-3)15-11-28)29-12-16-31(53-4)17-13-29/h5-17,20-21,32-37,47H,18-19,22-24H2,1-4H3,(H,43,48,50)(H,44,49,51)/t32-,33-,34+,35+,36+,37+/m0/s1 |
| InChIKey | LQACEVMKAGZPGJ-SOTIRQLOSA-N |
| Literature Reference Author | P.J.L.M.QUAEDFLIEG,J.A.PIKKEMAAT,G.A.VANDERMAREL,E.KUYL-YEHE SKIELY,C.ALTONA,J.H. |
| Literature Reference Citation | REC.TR.CH.P.-B.,112,15(1993) |
| Literature Reference DOI | 10.1002/recl.19931120104 |
| Molecular Weight | 798.847 g/mol |
| Solvent | CDCl3:CD3OD=1:1 |
| Source File Reference | UWRK1634 |