![N(2)-ISOBUTYRYL-O(6)-[2-(4-NITROPHENYL)-ETHYL]-9-(3'-ACETYLTHIOMETHYL-6'-TERT.-BUTYLDIPHENYLSILYL-3',5'-DIDEOXY-BETA-D-ALLO-FURANOSYL)-GUANINE](/api/spectrum/IkpfsJFs0T9/structure.png?h=300&w=458 "N(2)-ISOBUTYRYL-O(6)-[2-(4-NITROPHENYL)-ETHYL]-9-(3'-ACETYLTHIOMETHYL-6'-TERT.-BUTYLDIPHENYLSILYL-3',5'-DIDEOXY-BETA-D-ALLO-FURANOSYL)-GUANINE")
| SpectraBase Compound ID | CMPB13rvHW2 |
|---|---|
| InChI | InChI=1S/C42H50N6O8SSi/c1-27(2)38(51)45-41-44-37-35(39(46-41)54-23-21-29-17-19-30(20-18-29)48(52)53)43-26-47(37)40-36(50)33(25-57-28(3)49)34(56-40)22-24-55-58(42(4,5)6,31-13-9-7-10-14-31)32-15-11-8-12-16-32/h7-20,26-27,33-34,36,40,50H,21-25H2,1-6H3,(H,44,45,46,51)/t33-,34-,36-,40-/m0/s1 |
| InChIKey | DDXQQKOGRPUNSN-XUHMDZHKSA-N |
| Mol Weight | 827.0 g/mol |
| Molecular Formula | C42H50N6O8SSi |
| Exact Mass | 826.31801 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IkpfsJFs0T9 |
|---|---|
| Name | N(2)-ISOBUTYRYL-O(6)-[2-(4-NITROPHENYL)-ETHYL]-9-(3'-ACETYLTHIOMETHYL-6'-TERT.-BUTYLDIPHENYLSILYL-3',5'-DIDEOXY-BETA-D-ALLO-FURANOSYL)-GUANINE |
| Compound Number | 17 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H50N6O8SSi |
| InChI | InChI=1S/C42H50N6O8SSi/c1-27(2)38(51)45-41-44-37-35(39(46-41)54-23-21-29-17-19-30(20-18-29)48(52)53)43-26-47(37)40-36(50)33(25-57-28(3)49)34(56-40)22-24-55-58(42(4,5)6,31-13-9-7-10-14-31)32-15-11-8-12-16-32/h7-20,26-27,33-34,36,40,50H,21-25H2,1-6H3,(H,44,45,46,51)/t33-,34-,36-,40-/m0/s1 |
| InChIKey | DDXQQKOGRPUNSN-XUHMDZHKSA-N |
| Literature Reference Author | C.RICHERT,A.L.ROUGHTON,S.A.BENNER |
| Literature Reference Citation | J.AM.CHEM.SOC.,118,4518(1996) |
| Literature Reference DOI | 10.1021/ja952322m |
| Molecular Weight | 827.040 g/mol |
| Sample ID | 57090 |
| Solvent | CDCl3 |