| SpectraBase Compound ID | DMXRBBihMDs |
|---|---|
| InChI | InChI=1S/C46H51N4O14PS/c1-7-21-59-65(66,60-27-39-36(61-30(4)51)22-40(63-39)49-24-28(2)42(52)47-44(49)54)64-37-23-41(50-25-29(3)43(53)48-45(50)55)62-38(37)26-58-46(31-11-9-8-10-12-31,32-13-17-34(56-5)18-14-32)33-15-19-35(57-6)20-16-33/h7-20,24-25,36-41H,1,21-23,26-27H2,2-6H3,(H,47,52,54)(H,48,53,55)/t36-,37-,38+,39+,40+,41+,65?/m0/s1 |
| InChIKey | PIYIZVLIGJEODY-VWXZWCOSSA-N |
| Mol Weight | 947.0 g/mol |
| Molecular Formula | C46H51N4O14PS |
| Exact Mass | 946.28601 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IjmwGFPkH2O |
|---|---|
| Name | 3'-O-(ACETYL)-THYMIDIN-5'-YL-ALLYL-(S(P))-5'-O-(PARA,PARA'-DIMETHOXYTRITYL)-THYMIDIN-3'-YL-PHOSPHOROTHIOATE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H51N4O14PS |
| InChI | InChI=1S/C46H51N4O14PS/c1-7-21-59-65(66,60-27-39-36(61-30(4)51)22-40(63-39)49-24-28(2)42(52)47-44(49)54)64-37-23-41(50-25-29(3)43(53)48-45(50)55)62-38(37)26-58-46(31-11-9-8-10-12-31,32-13-17-34(56-5)18-14-32)33-15-19-35(57-6)20-16-33/h7-20,24-25,36-41H,1,21-23,26-27H2,2-6H3,(H,47,52,54)(H,48,53,55)/t36-,37-,38+,39+,40+,41+,65?/m0/s1 |
| InChIKey | PIYIZVLIGJEODY-VWXZWCOSSA-N |
| Literature Reference Author | Y.HAYAKAWA,Y.HIRABAYASHI,M.HYODO,S.YAMASHITA,T.MATSUNAMI,D.M .CUI,R.KAWAI,H.KODAM |
| Literature Reference Citation | EUR.J.ORG.CHEM.,3834(2006) |
| Solvent | CDCl3 |
| Source File Reference | UWSI32287 |