![20-[(1'R)-HYDROXY-(2'R)-TRIFLUOROMETHYL-3'-BUTEN-1'-YL]-3-OXOPREGN-4-ENE](/api/spectrum/KQZq3kdMFpe/structure.png?h=300&w=458 "20-[(1'R)-HYDROXY-(2'R)-TRIFLUOROMETHYL-3'-BUTEN-1'-YL]-3-OXOPREGN-4-ENE")
| SpectraBase Compound ID | LT9NveCoeTA |
|---|---|
| InChI | InChI=1S/C26H37F3O2/c1-5-19(26(27,28)29)23(31)15(2)20-8-9-21-18-7-6-16-14-17(30)10-12-24(16,3)22(18)11-13-25(20,21)4/h5,14-15,18-23,31H,1,6-13H2,2-4H3/t15-,18-,19-,20+,21?,22?,23-,24?,25?/m0/s1 |
| InChIKey | MKKSZEQWIIQNIY-GHNDNMSYSA-N |
| Mol Weight | 438.6 g/mol |
| Molecular Formula | C26H37F3O2 |
| Exact Mass | 438.274565 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KQZq3kdMFpe |
|---|---|
| Name | 20-[(1'R)-HYDROXY-(2'R)-TRIFLUOROMETHYL-3'-BUTEN-1'-YL]-3-OXOPREGN-4-ENE |
| Compound Number | 1B |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H37F3O2 |
| InChI | InChI=1S/C26H37F3O2/c1-5-19(26(27,28)29)23(31)15(2)20-8-9-21-18-7-6-16-14-17(30)10-12-24(16,3)22(18)11-13-25(20,21)4/h5,14-15,18-23,31H,1,6-13H2,2-4H3/t15-,18-,19-,20+,21?,22?,23-,24?,25?/m0/s1 |
| InChIKey | MKKSZEQWIIQNIY-GHNDNMSYSA-N |
| Literature Reference Author | T.P.LOH,Q.Y.HU,L.T.MA |
| Literature Reference Citation | ORG.LETTERS,4,2389(2002) |
| Literature Reference DOI | 10.1021/ol026136e |
| Solvent | CDCl3 |
| Source File Reference | UWLU35731 |