| SpectraBase Compound ID | 3cMtUVw42NG |
|---|---|
| InChI | InChI=1S/C40H45N3O7S2/c1-27(44)49-34-24-36(43-25-28(37(41)42-38(43)45)12-10-11-23-51-52-39(2,3)4)50-35(34)26-48-40(29-13-8-7-9-14-29,30-15-19-32(46-5)20-16-30)31-17-21-33(47-6)22-18-31/h7-9,13-22,25,34-36H,11,23-24,26H2,1-6H3,(H2,41,42,45)/t34-,35+,36+/m1/s1 |
| InChIKey | BDWVAGFAYGXPLZ-SBPNQFBHSA-N |
| Mol Weight | 743.9 g/mol |
| Molecular Formula | C40H45N3O7S2 |
| Exact Mass | 743.269893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3k5ufR1qFRt |
|---|---|
| Name | 3'-O-4-N-DIACETYL-5'-O-(4,4'-DIMETHOXYTRITYL)-5-(1-BUTYNYL)-2'-DEOXYCYTIDINE-TERT.-BUTYL-DISULFIDE |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H45N3O7S2 |
| InChI | InChI=1S/C40H45N3O7S2/c1-27(44)49-34-24-36(43-25-28(37(41)42-38(43)45)12-10-11-23-51-52-39(2,3)4)50-35(34)26-48-40(29-13-8-7-9-14-29,30-15-19-32(46-5)20-16-30)31-17-21-33(47-6)22-18-31/h7-9,13-22,25,34-36H,11,23-24,26H2,1-6H3,(H2,41,42,45)/t34-,35+,36+/m1/s1 |
| InChIKey | BDWVAGFAYGXPLZ-SBPNQFBHSA-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 | 743.933 g/mol |
| Sample ID | 34826 |
| Solvent | CDCl3 |