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16.alpha.-Fluoro-3,3-(ethylenedioxy)androstan-17-one
SpectraBase Compound ID 5TZmkPcOrJv
InChI InChI=1S/C21H31FO3/c1-19-7-8-21(24-9-10-25-21)12-13(19)3-4-14-15(19)5-6-20(2)16(14)11-17(22)18(20)23/h13-17H,3-12H2,1-2H3/t13?,14-,15+,16+,17-,19+,20+/m1/s1
InChIKey LYFMFAUNALFCLI-OAXLKRRGSA-N
Mol Weight 350.47 g/mol
Molecular Formula C21H31FO3
Exact Mass 350.225723 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D4QYxi9TI7l
Name 16.alpha.-Fluoro-3,3-(ethylenedioxy)androstan-17-one
Alternate Name(s) (1'S,2'S,10'R,11'S,13'R,15'S)-13'-fluoro-2',15'-dimethylspiro[1,3-dioxolane-2,5'-tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecane]-14'-one
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Formula C21H31FO3
InChI InChI=1S/C21H31FO3/c1-19-7-8-21(24-9-10-25-21)12-13(19)3-4-14-15(19)5-6-20(2)16(14)11-17(22)18(20)23/h13-17H,3-12H2,1-2H3/t13?,14-,15+,16+,17-,19+,20+/m1/s1
InChIKey LYFMFAUNALFCLI-OAXLKRRGSA-N
Molecular Weight 350.474 g/mol
SMILES C12(CC[C@]3(C(C2)CC[C@]2([C@@]4(C[C@](C([C@@]4(C)CC[C@]32[H])=O)(F)[H])[H])[H])C)OCCO1
SPLASH splash10-0002-9201000000-d30b7d5b885dc8550a8b
Source of Spectrum E1-35-2123-17
Wiley ID 1574265