| SpectraBase Compound ID | 9pkGjQgDE8d |
|---|---|
| InChI | InChI=1S/C37H49F3O3/c1-4-5-6-7-8-9-11-14-27-18-22-33-32-20-17-26-25-29(19-21-30(26)31(32)23-24-35(27,33)2)43-34(41)36(42-3,37(38,39)40)28-15-12-10-13-16-28/h10,12-13,15-17,20,27,29,33H,4-9,11,14,18-19,21-25H2,1-3H3/t27-,29+,33-,35+,36?/m0/s1 |
| InChIKey | KPRFZJPCZNYAPI-DUFQNLBLSA-N |
| Mol Weight | 598.8 g/mol |
| Molecular Formula | C37H49F3O3 |
| Exact Mass | 598.36338 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 78OfafBxlDH |
|---|---|
| Name | 19-NORERGOSTA-5,7,9-TRIEN-3-ALPHA-YL-(+)-ALPHA-METHOXY-ALPHA-TRIFLUOROMETHYLPHENYLACETATE |
| Compound Number | 2F |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H49F3O3 |
| InChI | InChI=1S/C37H49F3O3/c1-4-5-6-7-8-9-11-14-27-18-22-33-32-20-17-26-25-29(19-21-30(26)31(32)23-24-35(27,33)2)43-34(41)36(42-3,37(38,39)40)28-15-12-10-13-16-28/h10,12-13,15-17,20,27,29,33H,4-9,11,14,18-19,21-25H2,1-3H3/t27-,29+,33-,35+,36?/m0/s1 |
| InChIKey | KPRFZJPCZNYAPI-DUFQNLBLSA-N |
| Literature Reference Author | G.FELSKY,P.M.FREDERICKS,G.D.MEAKINS |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,1529(1978) |
| Literature Reference DOI | 10.1039/p19780001529 |
| Solvent | Unknown |
| Source File Reference | UWPS1788 |