(11β,16Alpha,17β)-11-Ethyl-16-Fluoroestra-1,3,5(10)-Triene-3,17-Diol

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Properties Simple | Detailed

Formula C20H27FO2
IUPAC Name (8s,9s,11s,13s,14s,16r,17r)-11-ethyl-16-fluoro-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Molecular Mass 318.426 g·mol−1
Heat of Formation -640.1 ± 16.7 kJ·mol−1
Dipole Moment 0.99 ± 1.08 D
Volume 393.2 Å 3
Surface Area 318.63 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy 0.16 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,11s,13s,14s,16r,17r)-11-ethyl-16-fluoro-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
  • 11-et-fes
  • 11-ethyl-16-fluoroestradiol
CAS Number(s)
  • 129000-39-1
InChIKey BLLQFETUFOJMGB-PVPZMVGNSA-N
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