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Trans-dehydroandrosterone, trifluoroacetate, o-ethyloxime

View entire compound with spectra: 1 NMR

Trans-dehydroandrosterone, trifluoroacetate, o-ethyloxime
SpectraBase Compound ID FNdlPFMxPUL
InChI InChI=1S/C23H32F3NO3/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/h5,15-18H,4,6-13H2,1-3H3/b27-19+
InChIKey KWASRSRPEVDOBI-ZXVVBBHZSA-N
Mol Weight 427.5 g/mol
Molecular Formula C23H32F3NO3
Exact Mass 427.233428 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LU82sNDvd9J
Name Trans-dehydroandrosterone, trifluoroacetate, o-ethyloxime
Comments Computed using HOSE algorithm
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Exact Mass 427.233428380 u
Formula C23H32F3NO3
InChI InChI=1S/C23H32F3NO3/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/h5,15-18H,4,6-13H2,1-3H3/b27-19+
InChIKey KWASRSRPEVDOBI-ZXVVBBHZSA-N
Molecular Weight 427.508 g/mol
SMILES C12(C(=CCC3C2CCC2(\C(=N\OCC)CCC32)C)CC(CC1)OC(C(F)(F)F)=O)C