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3,3-Difluoro-17-(ethylenedioxy)androstane

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

3,3-Difluoro-17-(ethylenedioxy)androstane
SpectraBase Compound ID FPV0e40IC07
InChI InChI=1S/C21H32F2O2/c1-18-9-10-20(22,23)13-14(18)3-4-15-16(18)5-7-19(2)17(15)6-8-21(19)24-11-12-25-21/h14-17H,3-13H2,1-2H3/t14-,15+,16?,17-,18-,19-/m0/s1
InChIKey DRSKJZRGINJCAV-IQCPKIPMSA-N
Mol Weight 354.5 g/mol
Molecular Formula C21H32F2O2
Exact Mass 354.237037 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GgKDIDRirnw
Name 3,3-Difluoro-17-(ethylenedioxy)androstane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 354.237036594 u
Formula C21H32F2O2
InChI InChI=1S/C21H32F2O2/c1-18-9-10-20(22,23)13-14(18)3-4-15-16(18)5-7-19(2)17(15)6-8-21(19)24-11-12-25-21/h14-17H,3-13H2,1-2H3/t14-,15+,16?,17-,18-,19-/m0/s1
InChIKey DRSKJZRGINJCAV-IQCPKIPMSA-N
Molecular Weight 354.482 g/mol
SMILES [C@@]12([C@]([C@@]3(CC[C@@]4([C@@](C3CC2)(CCC(F)(F)C4)C)[H])[H])(CCC11OCCO1)[H])C