| SpectraBase Compound ID | 82feF4qAr2Z |
|---|---|
| InChI | InChI=1S/C44H49N4O13PS/c1-6-20-57-62(63,58-26-36-34(49)21-38(59-36)47-23-27(2)40(50)45-42(47)52)61-35-22-39(48-24-28(3)41(51)46-43(48)53)60-37(35)25-56-44(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/h6-19,23-24,34-39,49H,1,20-22,25-26H2,2-5H3,(H,45,50,52)(H,46,51,53)/t34-,35+,36+,37-,38+,39-,62?/m1/s1 |
| InChIKey | OITUGPKCRAXGDN-RFYNOMQVSA-N |
| Mol Weight | 904.9 g/mol |
| Molecular Formula | C44H49N4O13PS |
| Exact Mass | 904.275446 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1S7iRV5qdNM |
|---|---|
| Name | ALLYL-(S(P))-5'-O-(PARA,PARA'-DIMETHOXYTRITYL)-THYMIDIN-3'-YL-THYMIDIN-5'-YL-PHOSPHOROTHIOATE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H49N4O13PS |
| InChI | InChI=1S/C44H49N4O13PS/c1-6-20-57-62(63,58-26-36-34(49)21-38(59-36)47-23-27(2)40(50)45-42(47)52)61-35-22-39(48-24-28(3)41(51)46-43(48)53)60-37(35)25-56-44(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/h6-19,23-24,34-39,49H,1,20-22,25-26H2,2-5H3,(H,45,50,52)(H,46,51,53)/t34-,35+,36+,37-,38+,39-,62?/m1/s1 |
| InChIKey | OITUGPKCRAXGDN-RFYNOMQVSA-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 | UWSI32289 |