![20-[(1'R)-HYDROXY-4'-TRIFLUOROMETHYL-(3'E)-BUTEN-1'-YL]-3-OXOPREGN-4-ENE](/api/spectrum/GMvS5ARCouk/structure.png?h=300&w=458 "20-[(1'R)-HYDROXY-4'-TRIFLUOROMETHYL-(3'E)-BUTEN-1'-YL]-3-OXOPREGN-4-ENE")
| SpectraBase Compound ID | LyWIdfqzdCi |
|---|---|
| InChI | InChI=1S/C26H37F3O2/c1-16(23(31)5-4-12-26(27,28)29)20-8-9-21-19-7-6-17-15-18(30)10-13-24(17,2)22(19)11-14-25(20,21)3/h4,12,15-16,19-23,31H,5-11,13-14H2,1-3H3/b12-4+/t16-,19-,20+,21-,22-,23-,24?,25?/m0/s1 |
| InChIKey | IVOCWCWRAAKCNT-QVPRBRRTSA-N |
| Mol Weight | 438.6 g/mol |
| Molecular Formula | C26H37F3O2 |
| Exact Mass | 438.274565 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GMvS5ARCouk |
|---|---|
| Name | 20-[(1'R)-HYDROXY-4'-TRIFLUOROMETHYL-(3'E)-BUTEN-1'-YL]-3-OXOPREGN-4-ENE |
| Compound Number | 2B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H37F3O2 |
| InChI | InChI=1S/C26H37F3O2/c1-16(23(31)5-4-12-26(27,28)29)20-8-9-21-19-7-6-17-15-18(30)10-13-24(17,2)22(19)11-14-25(20,21)3/h4,12,15-16,19-23,31H,5-11,13-14H2,1-3H3/b12-4+/t16-,19-,20+,21-,22-,23-,24?,25?/m0/s1 |
| InChIKey | IVOCWCWRAAKCNT-QVPRBRRTSA-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 |
| Molecular Weight | 438.574 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU35732 |