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

View entire compound with spectra: 1 NMR

5-Pregnen-3.beta.-ol-20-one, trifluoroacetate, o-methyloxime
SpectraBase Compound ID 2XDY5dlG4Os
InChI InChI=1S/C24H34F3NO3/c1-14(28-30-4)18-7-8-19-17-6-5-15-13-16(31-21(29)24(25,26)27)9-11-22(15,2)20(17)10-12-23(18,19)3/h5,16-20H,6-13H2,1-4H3/b28-14+
InChIKey FFTMAPAWYFINLB-CCVNUDIWSA-N
Mol Weight 441.5 g/mol
Molecular Formula C24H34F3NO3
Exact Mass 441.249078 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 15wkzFAFkmZ
Name 5-Pregnen-3.beta.-ol-20-one, trifluoroacetate, o-methyloxime
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 441.249078445 u
Formula C24H34F3NO3
InChI InChI=1S/C24H34F3NO3/c1-14(28-30-4)18-7-8-19-17-6-5-15-13-16(31-21(29)24(25,26)27)9-11-22(15,2)20(17)10-12-23(18,19)3/h5,16-20H,6-13H2,1-4H3/b28-14+
InChIKey FFTMAPAWYFINLB-CCVNUDIWSA-N
Molecular Weight 441.535 g/mol
SMILES C12(CCC(CC2=CCC2C1CCC1(C2CCC1\C(C)=N\OC)C)OC(C(F)(F)F)=O)C