| SpectraBase Compound ID | 7zWfl61KKzN |
|---|---|
| InChI | InChI=1S/C29H36N8O11S/c1-14-11-36(28(43)33-25(14)41)23-8-19(22(13-38)48-23)32-27(35-49(45,46)18-6-4-17(5-7-18)31-16(3)39)30-10-21-20(40)9-24(47-21)37-12-15(2)26(42)34-29(37)44/h4-7,11-12,19-24,38,40H,8-10,13H2,1-3H3,(H,31,39)(H2,30,32,35)(H,33,41,43)(H,34,42,44)/t19-,20+,21-,22+,23+,24-/m1/s1 |
| InChIKey | GUUDQKGOALFZQE-HYANYTLRSA-N |
| Mol Weight | 704.7 g/mol |
| Molecular Formula | C29H36N8O11S |
| Exact Mass | 704.222425 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Iw0dq0Yd2K5 |
|---|---|
| Name | N'-(3'-DEOXYTHYMIDIN-3'-YL)-N''-(5'-DEOXYTHYMIDIN-5'-YL)-N-(4-ACETAMIDO)-GUANIDINE |
| Compound Number | 5E |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H36N8O11S |
| InChI | InChI=1S/C29H36N8O11S/c1-14-11-36(28(43)33-25(14)41)23-8-19(22(13-38)48-23)32-27(35-49(45,46)18-6-4-17(5-7-18)31-16(3)39)30-10-21-20(40)9-24(47-21)37-12-15(2)26(42)34-29(37)44/h4-7,11-12,19-24,38,40H,8-10,13H2,1-3H3,(H,31,39)(H2,30,32,35)(H,33,41,43)(H,34,42,44)/t19-,20+,21-,22+,23+,24-/m1/s1 |
| InChIKey | GUUDQKGOALFZQE-HYANYTLRSA-N |
| Literature Reference Author | F.VANDENDRIESSCHE,A.VANAERSCHOT,M.VOORTMANS,G.JANSSEN,R.BUSS ON,A.VANOVERBEKE,W.V |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,1567(1993) |
| Literature Reference DOI | 10.1039/p19930001567 |
| Molecular Weight | 704.712 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWCP6733 |