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5-Pregnen-3.beta.-ol-20-one, trifluoroacetate, o-ethyloxime

View entire compound with spectra: 1 NMR

5-Pregnen-3.beta.-ol-20-one, trifluoroacetate, o-ethyloxime
SpectraBase Compound ID 7poCUBO9oXZ
InChI InChI=1S/C25H36F3NO3/c1-5-31-29-15(2)19-8-9-20-18-7-6-16-14-17(32-22(30)25(26,27)28)10-12-23(16,3)21(18)11-13-24(19,20)4/h6,17-21H,5,7-14H2,1-4H3/b29-15+
InChIKey GEIGQSCIJZLGEN-WKULSOCRSA-N
Mol Weight 455.6 g/mol
Molecular Formula C25H36F3NO3
Exact Mass 455.264729 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CSLpD2mzHVZ
Name 5-Pregnen-3.beta.-ol-20-one, trifluoroacetate, o-ethyloxime
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 455.264728509 u
Formula C25H36F3NO3
InChI InChI=1S/C25H36F3NO3/c1-5-31-29-15(2)19-8-9-20-18-7-6-16-14-17(32-22(30)25(26,27)28)10-12-23(16,3)21(18)11-13-24(19,20)4/h6,17-21H,5,7-14H2,1-4H3/b29-15+
InChIKey GEIGQSCIJZLGEN-WKULSOCRSA-N
Molecular Weight 455.562 g/mol
SMILES C12(CCC(CC2=CCC2C1CCC1(C2CCC1\C(C)=N\OCC)C)OC(C(F)(F)F)=O)C