| SpectraBase Compound ID | Avlnqjhs8a1 |
|---|---|
| InChI | InChI=1S/C28H33N7O9/c1-14-11-34(27(41)32-23(14)38)21-8-17(20(13-36)44-21)30-26(31-25(40)16-6-4-3-5-7-16)29-10-19-18(37)9-22(43-19)35-12-15(2)24(39)33-28(35)42/h3-7,11-12,17-22,36-37H,8-10,13H2,1-2H3,(H,32,38,41)(H,33,39,42)(H2,29,30,31,40)/t17-,18+,19-,20+,21+,22-/m1/s1 |
| InChIKey | JRNLKBKRCVSSIL-NPQLIOMISA-N |
| Mol Weight | 611.6 g/mol |
| Molecular Formula | C28H33N7O9 |
| Exact Mass | 611.233976 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BeAOUXM0sMi |
|---|---|
| Name | N'-(3'-DEOXYTHYMIDIN-3'-YL)-N''-(5'-DEOXYTHYMIDIN-5'-YL)-N-BENZOYL-GUANIDINE |
| Compound Number | 5G |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H33N7O9 |
| InChI | InChI=1S/C28H33N7O9/c1-14-11-34(27(41)32-23(14)38)21-8-17(20(13-36)44-21)30-26(31-25(40)16-6-4-3-5-7-16)29-10-19-18(37)9-22(43-19)35-12-15(2)24(39)33-28(35)42/h3-7,11-12,17-22,36-37H,8-10,13H2,1-2H3,(H,32,38,41)(H,33,39,42)(H2,29,30,31,40)/t17-,18+,19-,20+,21+,22-/m1/s1 |
| InChIKey | JRNLKBKRCVSSIL-NPQLIOMISA-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 | 611.612 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWCP6735 |