| SpectraBase Compound ID | DJymwdNMUEe |
|---|---|
| InChI | InChI=1S/C44H43N4O7PS/c1-51-36-23-19-33(20-24-36)44(32-15-9-5-10-16-32,34-21-25-37(52-2)26-22-34)53-30-39-38(55-56(3,57)47-35-17-11-6-12-18-35)29-41(54-39)48-28-27-40(46-43(48)50)45-42(49)31-13-7-4-8-14-31/h4-28,38-39,41H,29-30H2,1-3H3,(H,47,57)(H,45,46,49,50)/t38-,39+,41+,56?/m0/s1 |
| InChIKey | JIOKSYCZXJJFNF-LEYPHQFNSA-N |
| Mol Weight | 802.9 g/mol |
| Molecular Formula | C44H43N4O7PS |
| Exact Mass | 802.259008 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3oRXRg0PUKF |
|---|---|
| Name | 5'-O-DIMETHOXYTRITYL-N(4)-BENZOYL-2'-DEOXYCYTIDINE-3'-O-METHANEPHOSPHONOTHIOANILIDATE;SLOW-(S(P)) |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H43N4O7PS |
| InChI | InChI=1S/C44H43N4O7PS/c1-51-36-23-19-33(20-24-36)44(32-15-9-5-10-16-32,34-21-25-37(52-2)26-22-34)53-30-39-38(55-56(3,57)47-35-17-11-6-12-18-35)29-41(54-39)48-28-27-40(46-43(48)50)45-42(49)31-13-7-4-8-14-31/h4-28,38-39,41H,29-30H2,1-3H3,(H,47,57)(H,45,46,49,50)/t38-,39+,41+,56?/m0/s1 |
| InChIKey | JIOKSYCZXJJFNF-LEYPHQFNSA-N |
| Literature Reference Author | L.A.WOZNIAK,M.WIECZOREK,J.PYZOWSKI,W.MAJZNER,W.J.STEC |
| Literature Reference Citation | J.ORG.CHEM.,63,5395(1998) |
| Literature Reference DOI | 10.1021/jo980225g |
| Solvent | CH2Cl2:C6D6 |
| Source File Reference | UWSI28669 |