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Trans-androsterone, pentafluoropropionate

View entire compound with spectra: 1 NMR

Trans-androsterone, pentafluoropropionate
SpectraBase Compound ID HVpKsWcr88w
InChI InChI=1S/C22H29F5O3/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/h12-16H,3-11H2,1-2H3
InChIKey MDOSQUKLWNVMRK-UHFFFAOYSA-N
Mol Weight 436.46 g/mol
Molecular Formula C22H29F5O3
Exact Mass 436.203686 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9x9gOXE0v1I
Name Trans-androsterone, pentafluoropropionate
Comments Computed using HOSE algorithm
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Exact Mass 436.203685606 u
Formula C22H29F5O3
InChI InChI=1S/C22H29F5O3/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/h12-16H,3-11H2,1-2H3
InChIKey MDOSQUKLWNVMRK-UHFFFAOYSA-N
Molecular Weight 436.463 g/mol
SMILES C12(C3C(CCC2CC(CC1)OC(C(C(F)(F)F)(F)F)=O)C1C(CC3)(C(=O)CC1)C)C