(11β,16Alpha,17Alpha)-16-Fluoro-11-Methoxy-19-Norpregna-1,3,5(10)-Trien-20-Yne-3,17-Diol

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Formula C21H25FO3
IUPAC Name (8s,9s,11s,13s,14s,16r,17r)-17-ethynyl-16-fluoro-11-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-3,17-diol
Molecular Mass 344.420 g·mol−1
Heat of Formation -505.6 ± 16.7 kJ·mol−1
Dipole Moment 2.17 ± 1.08 D
Volume 414.08 Å 3
Surface Area 333.62 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy 0.28 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,11s,13s,14s,16r,17r)-17-ethynyl-16-fluoro-11-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-3,17-diol
  • 16beta-(18f)fluoromoxestrol
  • 19-norpregna-1,3,5(10)-trien-20-yne-3,17-diol, 16-fluoro-11-methoxy-, (11beta,16alpha,17alpha)-
  • fluoromoxestrol
CAS Number(s)
  • 142154-95-8
InChIKey UPCVHECNLOMHQH-WYLBFHJUSA-N
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