| SpectraBase Compound ID | 4vHsxZ2CHHY |
|---|---|
| InChI | InChI=1S/C38H43N3O6S2/c1-37(2,3)49-48-22-10-9-11-26-24-41(36(43)40-35(26)39)34-23-32(42)33(47-34)25-46-38(27-12-7-6-8-13-27,28-14-18-30(44-4)19-15-28)29-16-20-31(45-5)21-17-29/h6-8,12-21,24,32-34,42H,10,22-23,25H2,1-5H3,(H2,39,40,43)/t32-,33+,34+/m1/s1 |
| InChIKey | OQPDNEUOKBXJBW-WKNISULPSA-N |
| Mol Weight | 701.9 g/mol |
| Molecular Formula | C38H43N3O6S2 |
| Exact Mass | 701.259328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EsGijRJgtPg |
|---|---|
| Name | 5'-O-(4,4'-DIMETHOXYTRITYL)-5-(1-BUTYNYL)-2'-DEOXYCYTIDINE-TERT.-BUTYL-DISULFIDE |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H43N3O6S2 |
| InChI | InChI=1S/C38H43N3O6S2/c1-37(2,3)49-48-22-10-9-11-26-24-41(36(43)40-35(26)39)34-23-32(42)33(47-34)25-46-38(27-12-7-6-8-13-27,28-14-18-30(44-4)19-15-28)29-16-20-31(45-5)21-17-29/h6-8,12-21,24,32-34,42H,10,22-23,25H2,1-5H3,(H2,39,40,43)/t32-,33+,34+/m1/s1 |
| InChIKey | OQPDNEUOKBXJBW-WKNISULPSA-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 | 701.896 g/mol |
| Sample ID | 34825 |
| Solvent | CD3OD |