| SpectraBase Compound ID | LSDLgetbLaJ |
|---|---|
| InChI | InChI=1S/C33H40N8O10S/c1-17-14-40(32(46)36-29(17)44)27-11-21(25(16-42)51-27)35-31(34-13-24-23(43)12-28(50-24)41-15-18(2)30(45)37-33(41)47)38-52(48,49)26-10-6-7-19-20(26)8-5-9-22(19)39(3)4/h5-10,14-15,21,23-25,27-28,42-43H,11-13,16H2,1-4H3,(H2,34,35,38)(H,36,44,46)(H,37,45,47)/t21-,23-,24+,25+,27+,28+/m0/s1 |
| InChIKey | IBZFMYXHECALIR-IHYCKXQLSA-N |
| Mol Weight | 740.8 g/mol |
| Molecular Formula | C33H40N8O10S |
| Exact Mass | 740.258811 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fay4fuwhjWl |
|---|---|
| Name | N'-(3'-DEOXYTHYMIDIN-3'-YL)-N''-(5'-DEOXYTHYMIDIN-5'-YL)-N-DANSYL-GUANIDINE |
| Compound Number | 5F |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H40N8O10S |
| InChI | InChI=1S/C33H40N8O10S/c1-17-14-40(32(46)36-29(17)44)27-11-21(25(16-42)51-27)35-31(34-13-24-23(43)12-28(50-24)41-15-18(2)30(45)37-33(41)47)38-52(48,49)26-10-6-7-19-20(26)8-5-9-22(19)39(3)4/h5-10,14-15,21,23-25,27-28,42-43H,11-13,16H2,1-4H3,(H2,34,35,38)(H,36,44,46)(H,37,45,47)/t21-,23-,24+,25+,27+,28+/m0/s1 |
| InChIKey | IBZFMYXHECALIR-IHYCKXQLSA-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 | 740.788 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWCP6734 |