| SpectraBase Compound ID | DlKWgta1fra |
|---|---|
| InChI | InChI=1S/C44H51N4O9P/c1-29(2)48(30(3)4)58(54-7)57-40-37(56-42(39(40)49)47-27-26-38(46-43(47)51)45-41(50)31-14-10-8-11-15-31)28-55-44(32-16-12-9-13-17-32,33-18-22-35(52-5)23-19-33)34-20-24-36(53-6)25-21-34/h8-27,29-30,37,39-40,42,49H,28H2,1-7H3,(H,45,46,50,51)/t37-,39+,40-,42-,58?/m1/s1 |
| InChIKey | SSJVDVGDFQAELO-AZUNBZADSA-N |
| Mol Weight | 810.9 g/mol |
| Molecular Formula | C44H51N4O9P |
| Exact Mass | 810.339366 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 355HeW0xJl5 |
|---|---|
| Name | 5'-o-Dimethoxytrityl-3'-o-diisopropyamido(methoxy)phosphino-4N-benzoyl-(1-beta-D-arabinofuranosyl)cytosine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 810.339366227 u |
| Formula | C44H51N4O9P |
| InChI | InChI=1S/C44H51N4O9P/c1-29(2)48(30(3)4)58(54-7)57-40-37(56-42(39(40)49)47-27-26-38(46-43(47)51)45-41(50)31-14-10-8-11-15-31)28-55-44(32-16-12-9-13-17-32,33-18-22-35(52-5)23-19-33)34-20-24-36(53-6)25-21-34/h8-27,29-30,37,39-40,42,49H,28H2,1-7H3,(H,45,46,50,51)/t37-,39+,40-,42-,58?/m1/s1 |
| InChIKey | SSJVDVGDFQAELO-AZUNBZADSA-N |
| Molecular Weight | 810.885 g/mol |
| SMILES | N(C=1C=CN([C@@]2(O[C@@]([C@]([C@@]2(O)[H])(OP(OC)N(C(C)C)C(C)C)[H])(COC(c2ccc(cc2)OC)(c2ccc(cc2)OC)c2ccccc2)[H])[H])C(N1)=O)C(c1ccccc1)=O |