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Trans-dehydroandrosterone, heptafluorobutyrate

View entire compound with spectra: 1 NMR

Trans-dehydroandrosterone, heptafluorobutyrate
SpectraBase Compound ID 2Ty2fDHYZDF
InChI InChI=1S/C23H27F7O3/c1-19-9-7-13(33-18(32)21(24,25)22(26,27)23(28,29)30)11-12(19)3-4-14-15-5-6-17(31)20(15,2)10-8-16(14)19/h3,13-16H,4-11H2,1-2H3
InChIKey ZSZXVWUIMGNJSD-UHFFFAOYSA-N
Mol Weight 484.45 g/mol
Molecular Formula C23H27F7O3
Exact Mass 484.184842 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D5ganEEcuX8
Name Trans-dehydroandrosterone, heptafluorobutyrate
Comments Computed using HOSE algorithm
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Exact Mass 484.184841867 u
Formula C23H27F7O3
InChI InChI=1S/C23H27F7O3/c1-19-9-7-13(33-18(32)21(24,25)22(26,27)23(28,29)30)11-12(19)3-4-14-15-5-6-17(31)20(15,2)10-8-16(14)19/h3,13-16H,4-11H2,1-2H3
InChIKey ZSZXVWUIMGNJSD-UHFFFAOYSA-N
Molecular Weight 484.455 g/mol
SMILES C12(C(=CCC3C2CCC2(C(=O)CCC32)C)CC(CC1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C