| SpectraBase Compound ID | KEGKckG8ZuB |
|---|---|
| InChI | InChI=1S/C44H49N4O14PS/c1-26-22-47(42(52)45-40(26)50)38-20-34(59-28(3)49)37(61-38)25-58-63(64,56-6)62-35-21-39(48-23-27(2)41(51)46-43(48)53)60-36(35)24-57-44(29-10-8-7-9-11-29,30-12-16-32(54-4)17-13-30)31-14-18-33(55-5)19-15-31/h7-19,22-23,34-39H,20-21,24-25H2,1-6H3,(H,45,50,52)(H,46,51,53)/t34-,35-,36+,37+,38+,39+,63?/m0/s1 |
| InChIKey | INRSWFVTSDLXOY-DFMHVPIKSA-N |
| Mol Weight | 920.9 g/mol |
| Molecular Formula | C44H49N4O14PS |
| Exact Mass | 920.27036 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J15WWFQz1gG |
|---|---|
| Name | 3'-O-(ACETYL)-THYMIDIN-5'-YL-(R(P))-5'-O-(PARA,PARA'-DIMETHOXYTRITYL)-THYMIDIN-3'-YL-METHYL-PHOSPHOROTHIOATE |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H49N4O14PS |
| InChI | InChI=1S/C44H49N4O14PS/c1-26-22-47(42(52)45-40(26)50)38-20-34(59-28(3)49)37(61-38)25-58-63(64,56-6)62-35-21-39(48-23-27(2)41(51)46-43(48)53)60-36(35)24-57-44(29-10-8-7-9-11-29,30-12-16-32(54-4)17-13-30)31-14-18-33(55-5)19-15-31/h7-19,22-23,34-39H,20-21,24-25H2,1-6H3,(H,45,50,52)(H,46,51,53)/t34-,35-,36+,37+,38+,39+,63?/m0/s1 |
| InChIKey | INRSWFVTSDLXOY-DFMHVPIKSA-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 | UWSI32288 |