| SpectraBase Compound ID | D5AqoMTZ3RY |
|---|---|
| InChI | InChI=1S/C36H38N2O9/c1-23-21-38(35(42)37-34(23)41)32-20-30(47-33(40)19-10-24(2)39)31(46-32)22-45-36(25-8-6-5-7-9-25,26-11-15-28(43-3)16-12-26)27-13-17-29(44-4)18-14-27/h5-9,11-18,21,30-32H,10,19-20,22H2,1-4H3,(H,37,41,42)/t30-,31+,32+/m0/s1 |
| InChIKey | OMGXBEJASAIXAA-DCMFLLSESA-N |
| Mol Weight | 642.7 g/mol |
| Molecular Formula | C36H38N2O9 |
| Exact Mass | 642.257731 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DgItvYATBJK |
|---|---|
| Name | 5'-o-(4,4'-Dimethoxytrityl)-3'-o-(4-oxopentanoyl)-2'-desoxy-thymidine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 642.257730803 u |
| Formula | C36H38N2O9 |
| InChI | InChI=1S/C36H38N2O9/c1-23-21-38(35(42)37-34(23)41)32-20-30(47-33(40)19-10-24(2)39)31(46-32)22-45-36(25-8-6-5-7-9-25,26-11-15-28(43-3)16-12-26)27-13-17-29(44-4)18-14-27/h5-9,11-18,21,30-32H,10,19-20,22H2,1-4H3,(H,37,41,42)/t30-,31+,32+/m0/s1 |
| InChIKey | OMGXBEJASAIXAA-DCMFLLSESA-N |
| Molecular Weight | 642.705 g/mol |
| SMILES | COC1=CC=C(C(OC[C@@]2([C@@](OC(CCC(C)=O)=O)(C[C@](N3C(=O)NC(=O)C(=C3)C)(O2)[H])[H])[H])(C2=CC=C(C=C2)OC)C2=CC=CC=C2)C=C1 |