| SpectraBase Compound ID | BolWgOKJp6G |
|---|---|
| InChI | InChI=1S/C55H54N5O13P/c1-36(61)70-45-32-50(59-30-28-44(56-53(59)63)37-14-8-5-9-15-37)72-48(45)35-69-74(4,65)73-46-33-51(60-31-29-49(58-54(60)64)57-52(62)38-16-10-6-11-17-38)71-47(46)34-68-55(39-18-12-7-13-19-39,40-20-24-42(66-2)25-21-40)41-22-26-43(67-3)27-23-41/h5-31,45-48,50-51H,32-35H2,1-4H3,(H,57,58,62,64)/t45-,46-,47+,48+,50+,51+,74?/m0/s1 |
| InChIKey | SVDHRIDTFPFATP-DXEWOJQMSA-N |
| Mol Weight | 1024.0 g/mol |
| Molecular Formula | C55H54N5O13P |
| Exact Mass | 1023.345574 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KlZ8dYDfJYh |
|---|---|
| Name | (R(P))-N(4)-BENZOYL-5'-O-DIMETHOXYTRITYL-2'-DEOXYCYTIDINE-(3',5')-N(4)-BENZOYL-3'-O-ACETYL-2'-DEOXYCYTIDINE-3'-METHANEPHOSPHONATE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H54N5O13P |
| InChI | InChI=1S/C55H54N5O13P/c1-36(61)70-45-32-50(59-30-28-44(56-53(59)63)37-14-8-5-9-15-37)72-48(45)35-69-74(4,65)73-46-33-51(60-31-29-49(58-54(60)64)57-52(62)38-16-10-6-11-17-38)71-47(46)34-68-55(39-18-12-7-13-19-39,40-20-24-42(66-2)25-21-40)41-22-26-43(67-3)27-23-41/h5-31,45-48,50-51H,32-35H2,1-4H3,(H,57,58,62,64)/t45-,46-,47+,48+,50+,51+,74?/m0/s1 |
| InChIKey | SVDHRIDTFPFATP-DXEWOJQMSA-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 | CDCl3 |
| Source File Reference | UWSI28686 |