![CHOLESTERYL-2-[[2,4-DIOXO-5-FLUORO-(1H,3H)-PYRIMIDIN-1-YL]-CARBONYL]-CYCLOHEXANECARBOXYLATE](/api/spectrum/HQHFyBSMjU6/structure.png?h=300&w=458 "CHOLESTERYL-2-[[2,4-DIOXO-5-FLUORO-(1H,3H)-PYRIMIDIN-1-YL]-CARBONYL]-CYCLOHEXANECARBOXYLATE")
| SpectraBase Compound ID | 8CRgUoEVrat |
|---|---|
| InChI | InChI=1S/2C39H57FN2O5/c2*1-23(2)9-8-10-24(3)30-15-16-31-29-14-13-25-21-26(17-19-38(25,4)32(29)18-20-39(30,31)5)47-36(45)28-12-7-6-11-27(28)34(43)42-35(44)33(40)22-41-37(42)46/h2*13,22-24,26-32H,6-12,14-21H2,1-5H3,(H,41,46)/t2*24-,26+,27?,28?,29+,30-,31+,32+,38?,39?/m11/s1 |
| InChIKey | LBNKUSCQHHLIHP-KTZXDFKASA-N |
| Mol Weight | 1305.8 g/mol |
| Molecular Formula | C78H114F2N4O10 |
| Exact Mass | 1304.850302 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HQHFyBSMjU6 |
|---|---|
| Name | CHOLESTERYL-2-[[2,4-DIOXO-5-FLUORO-(1H,3H)-PYRIMIDIN-1-YL]-CARBONYL]-CYCLOHEXANECARBOXYLATE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C78H114F2N4O10 |
| InChI | InChI=1S/2C39H57FN2O5/c2*1-23(2)9-8-10-24(3)30-15-16-31-29-14-13-25-21-26(17-19-38(25,4)32(29)18-20-39(30,31)5)47-36(45)28-12-7-6-11-27(28)34(43)42-35(44)33(40)22-41-37(42)46/h2*13,22-24,26-32H,6-12,14-21H2,1-5H3,(H,41,46)/t2*24-,26+,27?,28?,29+,30-,31+,32+,38?,39?/m11/s1 |
| InChIKey | LBNKUSCQHHLIHP-KTZXDFKASA-N |
| Literature Reference Author | A.A.RADWAN,F.K.ALANAZI |
| Literature Reference Citation | MOLECULES,19,13177(2014) |
| Literature Reference DOI | 10.3390/molecules190913177 |
| Molecular Weight | 1305.781 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWIR15327 |