(1R,3As,3Br,7As,8Ar,8Br,8Cr,10As)-1-Acetyl-5-Fluoro-8B,10A-Dimethyl-7-Oxo-1,2,3,3A,3B,7,7A,8,8A,8B,8C,9,10,10A-Tetradecahydrocyclopenta[A]Cyclopropa[G]Phenanthren-1-Yl Acetate

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Formula C24H29FO4
IUPAC Name (1r,3as,3br,7as,8ar,8br,8cr,10as)-1-acetyl-5-fluoro-8b,10a-dimethyl-7-oxo-1,2,3,3a,3b,7,7a,8,8a,8b,8c,9,10,10a-tetradecahydrocyclopenta[a]cyclopropa[g]phenanthren-1-yl acetate
Molecular Mass 400.483 g·mol−1
Heat of Formation -811.0 ± 16.7 kJ·mol−1
Dipole Moment 3.72 ± 1.08 D
Volume 477.22 Å 3
Surface Area 362.38 Å 2
HOMO Energy -9.72 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry C1
Synonyms
  • 6-fluoro-1,2-methylene-3,20-dioxo-9,10-pregna-4,6-dien-17-yl acetate
  • 6-fluoro-17-hydroxy-1beta,2-methylene-9 beta,10-alpha-pregna-4,6-diene-3,20-dione 17-acetate
  • du 41164
  • du-41164
CAS Number(s)
  • 34542-22-8
InChIKey WJSHHKQEKQVLOP-QHAUNDHQSA-N
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