(7α,17Beta)-17-[(~18~F)Fluoromethyl]-17-Hydroxy-7-Methylestr-4-En-3-One

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Formula C20H29FO2
IUPAC Name (7r,8r,9s,10r,13s,14s,17s)-17-(fluoromethyl)-17-hydroxy-7,13-dimethyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 319.444 g·mol−1
Heat of Formation -684.3 ± 16.7 kJ·mol−1
Dipole Moment 3.52 ± 1.08 D
Volume 403.56 Å 3
Surface Area 319.79 Å 2
HOMO Energy -9.81 ± 0.55 eV
LUMO Energy 2.99 ± eV
Point Group Symmetry C1
Synonyms
  • 20-fluoromibolerone
  • estr-4-en-3-one, 17-(fluoro-18f-methyl)-17-hydroxy-7-methyl-, (7alpha,17beta)-
  • f-mib
CAS Number(s)
  • 133083-42-8
InChIKey RIUMYCCCNLGPAG-OYXLNOHGSA-N
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