| SpectraBase Compound ID | 6MfI8qclvGw |
|---|---|
| InChI | InChI=1S/C37H41N5O5SSi/c1-25(43)48-22-29-30(20-21-46-49(37(2,3)4,27-16-10-6-11-17-27)28-18-12-7-13-19-28)47-36(32(29)44)42-24-40-31-33(38-23-39-34(31)42)41-35(45)26-14-8-5-9-15-26/h5-19,23-24,29-30,32,36,44H,20-22H2,1-4H3,(H,38,39,41,45)/t29-,30-,32-,36-/m0/s1 |
| InChIKey | ZGRJTLCALZPBQS-XVGPNZQGSA-N |
| Mol Weight | 695.9 g/mol |
| Molecular Formula | C37H41N5O5SSi |
| Exact Mass | 695.259767 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AKdSSPOjl6V |
|---|---|
| Name | 9-(3'-ACETYLTHIOMETHYL-6'-TERT.-BUTYLDIPHENYLSILYL-3',5'-DIDEOXY-BETA-ALLO-FURANOSYL)-N(6)-BENZOYLADENINE |
| Compound Number | 16 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H41N5O5SSi |
| InChI | InChI=1S/C37H41N5O5SSi/c1-25(43)48-22-29-30(20-21-46-49(37(2,3)4,27-16-10-6-11-17-27)28-18-12-7-13-19-28)47-36(32(29)44)42-24-40-31-33(38-23-39-34(31)42)41-35(45)26-14-8-5-9-15-26/h5-19,23-24,29-30,32,36,44H,20-22H2,1-4H3,(H,38,39,41,45)/t29-,30-,32-,36-/m0/s1 |
| InChIKey | ZGRJTLCALZPBQS-XVGPNZQGSA-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 | 695.909 g/mol |
| Sample ID | 57089 |
| Solvent | CDCl3 |