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

View entire compound with spectra: 1 NMR

Etiocholan-3.alpha.-ol-17-one, trifluoroacetate, o-methyloxime
SpectraBase Compound ID 8fYNwTY7IcK
InChI InChI=1S/C22H32F3NO3/c1-20-10-8-14(29-19(27)22(23,24)25)12-13(20)4-5-15-16-6-7-18(26-28-3)21(16,2)11-9-17(15)20/h13-17H,4-12H2,1-3H3/b26-18+
InChIKey NWZSLSLMTRQSFK-NLRVBDNBSA-N
Mol Weight 415.5 g/mol
Molecular Formula C22H32F3NO3
Exact Mass 415.233428 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8wvE7RgwYCB
Name Etiocholan-3.alpha.-ol-17-one, trifluoroacetate, o-methyloxime
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 415.233428380 u
Formula C22H32F3NO3
InChI InChI=1S/C22H32F3NO3/c1-20-10-8-14(29-19(27)22(23,24)25)12-13(20)4-5-15-16-6-7-18(26-28-3)21(16,2)11-9-17(15)20/h13-17H,4-12H2,1-3H3/b26-18+
InChIKey NWZSLSLMTRQSFK-NLRVBDNBSA-N
Molecular Weight 415.497 g/mol
SMILES C12C(C3(C(CC2)CC(CC3)OC(C(F)(F)F)=O)C)CCC2(C1CC\C2=N\OC)C