![CHOLESTERYL-4-[2,4-DIOXO-5-FLUORO-(1H,3H)-PYRIMIDIN-1-YL]-4-OXOBUT-2-ENOATE](/api/spectrum/BJ2c8fKsONQ/structure.png?h=300&w=458 "CHOLESTERYL-4-[2,4-DIOXO-5-FLUORO-(1H,3H)-PYRIMIDIN-1-YL]-4-OXOBUT-2-ENOATE")
| SpectraBase Compound ID | IPMQC29dYa0 |
|---|---|
| InChI | InChI=1S/2C35H49FN2O5/c2*1-21(2)7-6-8-22(3)26-11-12-27-25-10-9-23-19-24(15-17-34(23,4)28(25)16-18-35(26,27)5)43-31(40)14-13-30(39)38-32(41)29(36)20-37-33(38)42/h2*9,13-14,20-22,24-28H,6-8,10-12,15-19H2,1-5H3,(H,37,42)/b2*14-13+/t2*22-,24+,25+,26-,27+,28+,34?,35?/m11/s1 |
| InChIKey | USZUORNWEMLGPD-BGXAOXKDSA-N |
| Mol Weight | 1193.6 g/mol |
| Molecular Formula | C70H98F2N4O10 |
| Exact Mass | 1192.725102 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BJ2c8fKsONQ |
|---|---|
| Name | CHOLESTERYL-4-[2,4-DIOXO-5-FLUORO-(1H,3H)-PYRIMIDIN-1-YL]-4-OXOBUT-2-ENOATE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C70H98F2N4O10 |
| InChI | InChI=1S/2C35H49FN2O5/c2*1-21(2)7-6-8-22(3)26-11-12-27-25-10-9-23-19-24(15-17-34(23,4)28(25)16-18-35(26,27)5)43-31(40)14-13-30(39)38-32(41)29(36)20-37-33(38)42/h2*9,13-14,20-22,24-28H,6-8,10-12,15-19H2,1-5H3,(H,37,42)/b2*14-13+/t2*22-,24+,25+,26-,27+,28+,34?,35?/m11/s1 |
| InChIKey | USZUORNWEMLGPD-BGXAOXKDSA-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 | 1193.566 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWIR15326 |