3,3-Difluoro-5α-Androstan-17Beta-Yl Acetate

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Formula C21H32F2O2
IUPAC Name [(5s,8r,9s,10s,13s,14s,17s)-3,3-difluoro-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] acetate
Molecular Mass 354.474 g·mol−1
Heat of Formation -1073.4 ± 16.7 kJ·mol−1
Dipole Moment 4.22 ± 1.08 D
Volume 440.76 Å 3
Surface Area 348.87 Å 2
HOMO Energy -10.29 ± 0.55 eV
LUMO Energy 1.14 ± eV
Point Group Symmetry C1
Synonyms
  • [(5s,8r,9s,10s,13s,14s,17s)-3,3-difluoro-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] acetate
  • [(5s,8r,9s,10s,13s,14s,17s)-3,3-difluoro-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] ethanoate
CAS Number(s)
  • 1827-75-4
InChIKey BUIQHUBDLNDWCY-RBZZARIASA-N
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