(11β,16Alpha,17β)-16-Fluoro-11-Methoxyestra-1,3,5(10)-Triene-3,17-Diol

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Formula C19H25FO3
IUPAC Name (8s,9s,11s,13s,14s,16r,17r)-16-fluoro-11-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Molecular Mass 320.398 g·mol−1
Heat of Formation -755.4 ± 16.7 kJ·mol−1
Dipole Moment 0.79 ± 1.08 D
Volume 385.04 Å 3
Surface Area 314.53 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy 0.27 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,11s,13s,14s,16r,17r)-16-fluoro-11-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
  • 11-meo-fes
  • 11-methoxy-16-fluoroestradiol
  • estra-1,3,5(10)-triene-3,17-diol, 16-fluoro-11-methoxy-, (11beta,16alpha,17beta)-
CAS Number(s)
  • 129000-37-9
InChIKey HPWNWIGEGOPWMQ-RUOITVIXSA-N
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