![5-O-[5'-O-[5''-O-(5'''-O-LEVULINOYL-3'''-O-THYMIDYL)-METHYL-3''-O-THYMIDYL]-METHYL-3'-O-THYMIDYL]-METHYL-3-O-BENZOYL-THYMIDINE](/api/spectrum/2uo78AOHPiw/structure.png?h=300&w=458 "5-O-[5'-O-[5''-O-(5'''-O-LEVULINOYL-3'''-O-THYMIDYL)-METHYL-3''-O-THYMIDYL]-METHYL-3'-O-THYMIDYL]-METHYL-3-O-BENZOYL-THYMIDINE")
| SpectraBase Compound ID | HIXFRXhQmKM |
|---|---|
| InChI | InChI=1S/C55H66N8O23/c1-28-17-60(52(71)56-47(28)66)42-13-34(39(83-42)22-76-26-81-36-15-44(62-19-30(3)49(68)58-54(62)73)85-41(36)24-78-46(65)12-11-32(5)64)79-25-75-21-38-35(14-43(82-38)61-18-29(2)48(67)57-53(61)72)80-27-77-23-40-37(86-51(70)33-9-7-6-8-10-33)16-45(84-40)63-20-31(4)50(69)59-55(63)74/h6-10,17-20,34-45H,11-16,21-27H2,1-5H3,(H,56,66,71)(H,57,67,72)(H,58,68,73)(H,59,69,74)/t34-,35+,36+,37-,38-,39+,40+,41-,42+,43-,44?,45+/m1/s1 |
| InChIKey | HJXMLYXZVCVBIL-UXXXWENXSA-N |
| Mol Weight | 1207.2 g/mol |
| Molecular Formula | C55H66N8O23 |
| Exact Mass | 1206.42408 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2uo78AOHPiw |
|---|---|
| Name | 5-O-[5'-O-[5''-O-(5'''-O-LEVULINOYL-3'''-O-THYMIDYL)-METHYL-3''-O-THYMIDYL]-METHYL-3'-O-THYMIDYL]-METHYL-3-O-BENZOYL-THYMIDINE |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H66N8O23 |
| InChI | InChI=1S/C55H66N8O23/c1-28-17-60(52(71)56-47(28)66)42-13-34(39(83-42)22-76-26-81-36-15-44(62-19-30(3)49(68)58-54(62)73)85-41(36)24-78-46(65)12-11-32(5)64)79-25-75-21-38-35(14-43(82-38)61-18-29(2)48(67)57-53(61)72)80-27-77-23-40-37(86-51(70)33-9-7-6-8-10-33)16-45(84-40)63-20-31(4)50(69)59-55(63)74/h6-10,17-20,34-45H,11-16,21-27H2,1-5H3,(H,56,66,71)(H,57,67,72)(H,58,68,73)(H,59,69,74)/t34-,35+,36+,37-,38-,39+,40+,41-,42+,43-,44?,45+/m1/s1 |
| InChIKey | HJXMLYXZVCVBIL-UXXXWENXSA-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 | 1207.169 g/mol |
| Solvent | CDCl3:CD3OD=1:1 |
| Source File Reference | UWRK1638 |