![5-O-[5'-O-(5''-O-LEVULINOYL-3''-THYMIDYL)-METHYL-3'-O-THYMIDYL]-METHYL-3-O-BENZOYL-THYMIDINE](/api/spectrum/45KbQuoLWpi/structure.png?h=300&w=458 "5-O-[5'-O-(5''-O-LEVULINOYL-3''-THYMIDYL)-METHYL-3'-O-THYMIDYL]-METHYL-3-O-BENZOYL-THYMIDINE")
| SpectraBase Compound ID | DuHnVhMXl1r |
|---|---|
| InChI | InChI=1S/C44H52N6O18/c1-23-15-48(42(57)45-38(23)53)34-12-28(63-22-61-19-32-30(68-41(56)27-8-6-5-7-9-27)14-36(66-32)50-17-25(3)40(55)47-44(50)59)31(65-34)18-60-21-64-29-13-35(49-16-24(2)39(54)46-43(49)58)67-33(29)20-62-37(52)11-10-26(4)51/h5-9,15-17,28-36H,10-14,18-22H2,1-4H3,(H,45,53,57)(H,46,54,58)(H,47,55,59)/t28-,29+,30+,31+,32-,33-,34+,35-,36-/m0/s1 |
| InChIKey | IKQYHKJLJDCCAH-FIKMEDFFSA-N |
| Mol Weight | 952.9 g/mol |
| Molecular Formula | C44H52N6O18 |
| Exact Mass | 952.333809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 45KbQuoLWpi |
|---|---|
| Name | 5-O-[5'-O-(5''-O-LEVULINOYL-3''-THYMIDYL)-METHYL-3'-O-THYMIDYL]-METHYL-3-O-BENZOYL-THYMIDINE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H52N6O18 |
| InChI | InChI=1S/C44H52N6O18/c1-23-15-48(42(57)45-38(23)53)34-12-28(63-22-61-19-32-30(68-41(56)27-8-6-5-7-9-27)14-36(66-32)50-17-25(3)40(55)47-44(50)59)31(65-34)18-60-21-64-29-13-35(49-16-24(2)39(54)46-43(49)58)67-33(29)20-62-37(52)11-10-26(4)51/h5-9,15-17,28-36H,10-14,18-22H2,1-4H3,(H,45,53,57)(H,46,54,58)(H,47,55,59)/t28-,29+,30+,31+,32-,33-,34+,35-,36-/m0/s1 |
| InChIKey | IKQYHKJLJDCCAH-FIKMEDFFSA-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 | 952.926 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRK1636 |