![1-[(2R,3R,4R,5R)-4-ACETYLTHIOMETHYL-5-[2-(4,4'-DIMETHOXYTRIPHENYLMETHOXY)-ETHYL]-3-(1-IMIDAZOTHIOCARBONYLOXY)-TETRAHYDROFURAN-2-YL]-URACIL](/api/spectrum/JgWezD6hMrH/structure.png?h=300&w=458 "1-[(2R,3R,4R,5R)-4-ACETYLTHIOMETHYL-5-[2-(4,4'-DIMETHOXYTRIPHENYLMETHOXY)-ETHYL]-3-(1-IMIDAZOTHIOCARBONYLOXY)-TETRAHYDROFURAN-2-YL]-URACIL")
| SpectraBase Compound ID | IASOIY6XkH0 |
|---|---|
| InChI | InChI=1S/C38H38N4O9S2/c1-25(43)52-23-31-32(50-35(42-20-17-33(44)40-36(42)45)34(31)51-37(46)53-41-21-19-39-24-41)18-22-49-38(26-7-5-4-6-8-26,27-9-13-29(47-2)14-10-27)28-11-15-30(48-3)16-12-28/h4-17,19-21,24,31-32,34-35H,18,22-23H2,1-3H3,(H,40,44,45)/t31-,32-,34-,35-/m1/s1 |
| InChIKey | RQIFMFNVCXNFNP-LNLXGNHNSA-N |
| Mol Weight | 758.9 g/mol |
| Molecular Formula | C38H38N4O9S2 |
| Exact Mass | 758.208021 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JgWezD6hMrH |
|---|---|
| Name | 1-[(2R,3R,4R,5R)-4-ACETYLTHIOMETHYL-5-[2-(4,4'-DIMETHOXYTRIPHENYLMETHOXY)-ETHYL]-3-(1-IMIDAZOTHIOCARBONYLOXY)-TETRAHYDROFURAN-2-YL]-URACIL |
| Compound Number | 33 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H38N4O9S2 |
| InChI | InChI=1S/C38H38N4O9S2/c1-25(43)52-23-31-32(50-35(42-20-17-33(44)40-36(42)45)34(31)51-37(46)53-41-21-19-39-24-41)18-22-49-38(26-7-5-4-6-8-26,27-9-13-29(47-2)14-10-27)28-11-15-30(48-3)16-12-28/h4-17,19-21,24,31-32,34-35H,18,22-23H2,1-3H3,(H,40,44,45)/t31-,32-,34-,35-/m1/s1 |
| InChIKey | RQIFMFNVCXNFNP-LNLXGNHNSA-N |
| Literature Reference Author | Z.HUANG,S.A.BENNER |
| Literature Reference Citation | J.ORG.CHEM.,67,3996(2002) |
| Literature Reference DOI | 10.1021/jo0003910 |
| Molecular Weight | 758.861 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU26097 |