(11β,17β)-11-(2-Fluoroethyl)Estra-1,3,5(10)-Triene-3,17-Diol

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Properties Simple | Detailed

Formula C20H27FO2
IUPAC Name (8s,9s,11r,13s,14s,17s)-11-(2-fluoroethyl)-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 -618.1 ± 16.7 kJ·mol−1
Dipole Moment 3.76 ± 1.08 D
Volume 394.78 Å 3
Surface Area 320.19 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy 0.15 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,11r,13s,14s,17s)-11-(2-fluoroethyl)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
  • 11-(2-fluoroethyl)estra-1,3,5(10)-triene-3,17-diol
  • 11-(2-fluoroethyl)estradiol
  • estra-1,3,5(10)-triene-3,17-diol, 11-(2-fluoroethyl)-, (11beta,17beta)-
  • fets
CAS Number(s)
  • 129000-35-7
InChIKey MNDCNBSELADRIV-ZFRJDGDFSA-N
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