| SpectraBase Compound ID | 6GDoJKmLY4L |
|---|---|
| InChI | InChI=1S/C41H39N3O7S/c1-48-33-20-16-31(17-21-33)41(30-14-7-4-8-15-30,32-18-22-34(49-2)23-19-32)50-27-36-35(45)25-37(51-36)44-26-29(38(42)43-40(44)47)13-9-10-24-52-39(46)28-11-5-3-6-12-28/h3-8,11-12,14-23,26,35-37,45H,10,24-25,27H2,1-2H3,(H2,42,43,47)/t35-,36+,37+/m1/s1 |
| InChIKey | KURDSBMEBQAQLT-BOALQFNTSA-N |
| Mol Weight | 717.8 g/mol |
| Molecular Formula | C41H39N3O7S |
| Exact Mass | 717.250872 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EnxkXgJvP4G |
|---|---|
| Name | 5'-O-(4,4'-DIMETHOXYTRITYL)-5-(4-BENZOYLTHIO-1-BUTYNYL)-2'-DEOXYCYTIDINE |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H39N3O7S |
| InChI | InChI=1S/C41H39N3O7S/c1-48-33-20-16-31(17-21-33)41(30-14-7-4-8-15-30,32-18-22-34(49-2)23-19-32)50-27-36-35(45)25-37(51-36)44-26-29(38(42)43-40(44)47)13-9-10-24-52-39(46)28-11-5-3-6-12-28/h3-8,11-12,14-23,26,35-37,45H,10,24-25,27H2,1-2H3,(H2,42,43,47)/t35-,36+,37+/m1/s1 |
| InChIKey | KURDSBMEBQAQLT-BOALQFNTSA-N |
| Literature Reference Author | A.ROYCHOWDHURY,H.ILLANGKOON,C.L.HENDRICKSON,S.A.BENNER |
| Literature Reference Citation | ORG.LETTERS,6,489(2004) |
| Literature Reference DOI | 10.1021/ol0360290 |
| Molecular Weight | 717.837 g/mol |
| Sample ID | 34824 |
| Solvent | CD3OD |