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Etiocholan-3.alpha.-ol-17-one, trifluoroacetate, o-ethyloxime

View entire compound with spectra: 1 NMR

Etiocholan-3.alpha.-ol-17-one, trifluoroacetate, o-ethyloxime
SpectraBase Compound ID 69gygHrWDlX
InChI InChI=1S/C23H34F3NO3/c1-4-29-27-19-8-7-17-16-6-5-14-13-15(30-20(28)23(24,25)26)9-11-21(14,2)18(16)10-12-22(17,19)3/h14-18H,4-13H2,1-3H3/b27-19+
InChIKey WBSSMRIILSWXMZ-ZXVVBBHZSA-N
Mol Weight 429.5 g/mol
Molecular Formula C23H34F3NO3
Exact Mass 429.249078 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID YmcUDCXX8T
Name Etiocholan-3.alpha.-ol-17-one, trifluoroacetate, o-ethyloxime
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 429.249078445 u
Formula C23H34F3NO3
InChI InChI=1S/C23H34F3NO3/c1-4-29-27-19-8-7-17-16-6-5-14-13-15(30-20(28)23(24,25)26)9-11-21(14,2)18(16)10-12-22(17,19)3/h14-18H,4-13H2,1-3H3/b27-19+
InChIKey WBSSMRIILSWXMZ-ZXVVBBHZSA-N
Molecular Weight 429.524 g/mol
SMILES C12C(C3(C(CC2)CC(CC3)OC(C(F)(F)F)=O)C)CCC2(C1CC\C2=N\OCC)C