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Trans-dehydroandrosterone, pentafluoropropionate

View entire compound with spectra: 1 NMR

Trans-dehydroandrosterone, pentafluoropropionate
SpectraBase Compound ID 4Oh2brQjkDR
InChI InChI=1S/C22H27F5O3/c1-19-9-7-13(30-18(29)21(23,24)22(25,26)27)11-12(19)3-4-14-15-5-6-17(28)20(15,2)10-8-16(14)19/h3,13-16H,4-11H2,1-2H3
InChIKey WQVZUVYAIXHPIW-UHFFFAOYSA-N
Mol Weight 434.45 g/mol
Molecular Formula C22H27F5O3
Exact Mass 434.188036 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7Z7Cc7gprex
Name Trans-dehydroandrosterone, pentafluoropropionate
Comments Computed using HOSE algorithm
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Exact Mass 434.188035541 u
Formula C22H27F5O3
InChI InChI=1S/C22H27F5O3/c1-19-9-7-13(30-18(29)21(23,24)22(25,26)27)11-12(19)3-4-14-15-5-6-17(28)20(15,2)10-8-16(14)19/h3,13-16H,4-11H2,1-2H3
InChIKey WQVZUVYAIXHPIW-UHFFFAOYSA-N
Molecular Weight 434.447 g/mol
SMILES C12(C(=CCC3C2CCC2(C(=O)CCC32)C)CC(CC1)OC(C(C(F)(F)F)(F)F)=O)C