![5-O-[5'-LEVULINOYL-3'-O-THYMIDYL-METHYL]-3-O-BENZOYL-THYMIDINE](/api/spectrum/JEaoROzJuvC/structure.png?h=300&w=458 "5-O-[5'-LEVULINOYL-3'-O-THYMIDYL-METHYL]-3-O-BENZOYL-THYMIDINE")
| SpectraBase Compound ID | AJoKMSOWIJx |
|---|---|
| InChI | InChI=1S/C33H38N4O13/c1-18-13-36(32(43)34-29(18)40)26-11-22(25(49-26)16-46-28(39)10-9-20(3)38)47-17-45-15-24-23(50-31(42)21-7-5-4-6-8-21)12-27(48-24)37-14-19(2)30(41)35-33(37)44/h4-8,13-14,22-27H,9-12,15-17H2,1-3H3,(H,34,40,43)(H,35,41,44)/t22-,23+,24-,25+,26+,27-/m0/s1 |
| InChIKey | DSCYGTPRVQGRRU-PROSLKADSA-N |
| Mol Weight | 698.7 g/mol |
| Molecular Formula | C33H38N4O13 |
| Exact Mass | 698.243537 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JEaoROzJuvC |
|---|---|
| Name | 5-O-[5'-LEVULINOYL-3'-O-THYMIDYL-METHYL]-3-O-BENZOYL-THYMIDINE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H38N4O13 |
| InChI | InChI=1S/C33H38N4O13/c1-18-13-36(32(43)34-29(18)40)26-11-22(25(49-26)16-46-28(39)10-9-20(3)38)47-17-45-15-24-23(50-31(42)21-7-5-4-6-8-21)12-27(48-24)37-14-19(2)30(41)35-33(37)44/h4-8,13-14,22-27H,9-12,15-17H2,1-3H3,(H,34,40,43)(H,35,41,44)/t22-,23+,24-,25+,26+,27-/m0/s1 |
| InChIKey | DSCYGTPRVQGRRU-PROSLKADSA-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 | 698.684 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRK1633 |