![5-O-[5'-O-[5''-O-(4,4'-DIMETHOXYTRITYL)-3''-O-THYMIDYL]-METHYL-3'-O-THYMIDYL]-METHYL-THYMIDINE](/api/spectrum/62dZGkBACaG/structure.png?h=300&w=458 "5-O-[5'-O-[5''-O-(4,4'-DIMETHOXYTRITYL)-3''-O-THYMIDYL]-METHYL-3'-O-THYMIDYL]-METHYL-THYMIDINE")
| SpectraBase Compound ID | G0MwdQqKFEC |
|---|---|
| InChI | InChI=1S/C53H60N6O17/c1-30-22-57(50(64)54-47(30)61)44-19-38(60)41(74-44)25-69-28-71-39-20-45(58-23-31(2)48(62)55-51(58)65)75-42(39)26-70-29-72-40-21-46(59-24-32(3)49(63)56-52(59)66)76-43(40)27-73-53(33-9-7-6-8-10-33,34-11-15-36(67-4)16-12-34)35-13-17-37(68-5)18-14-35/h6-18,22-24,38-46,60H,19-21,25-29H2,1-5H3,(H,54,61,64)(H,55,62,65)(H,56,63,66)/t38-,39-,40+,41+,42+,43-,44+,45+,46-/m1/s1 |
| InChIKey | GGDYFGLRBXBUEG-NTQXWUAZSA-N |
| Mol Weight | 1053.1 g/mol |
| Molecular Formula | C53H60N6O17 |
| Exact Mass | 1052.401494 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 62dZGkBACaG |
|---|---|
| Name | 5-O-[5'-O-[5''-O-(4,4'-DIMETHOXYTRITYL)-3''-O-THYMIDYL]-METHYL-3'-O-THYMIDYL]-METHYL-THYMIDINE |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H60N6O17 |
| InChI | InChI=1S/C53H60N6O17/c1-30-22-57(50(64)54-47(30)61)44-19-38(60)41(74-44)25-69-28-71-39-20-45(58-23-31(2)48(62)55-51(58)65)75-42(39)26-70-29-72-40-21-46(59-24-32(3)49(63)56-52(59)66)76-43(40)27-73-53(33-9-7-6-8-10-33,34-11-15-36(67-4)16-12-34)35-13-17-37(68-5)18-14-35/h6-18,22-24,38-46,60H,19-21,25-29H2,1-5H3,(H,54,61,64)(H,55,62,65)(H,56,63,66)/t38-,39-,40+,41+,42+,43-,44+,45+,46-/m1/s1 |
| InChIKey | GGDYFGLRBXBUEG-NTQXWUAZSA-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 | 1053.089 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRK1637 |