(16α)-21-(~18~F)Fluoro-16-Methyl-19-Norpregn-4-Ene-3,20-Dione

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Properties Simple | Detailed

Formula C21H29FO2
IUPAC Name (8r,9s,10r,13s,14s,16r,17s)-17-(2-fluoroacetyl)-13,16-dimethyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-one
Molecular Mass 332.452 g·mol−1
Heat of Formation -644.0 ± 16.7 kJ·mol−1
Dipole Moment 2.05 ± 1.08 D
Volume 419.37 Å 3
Surface Area 338.23 Å 2
HOMO Energy -9.86 ± 0.55 eV
LUMO Energy 2.93 ± eV
Point Group Symmetry C1
Synonyms
  • (16alpha)-21-(fluoro-18f)-16-methyl-19-norpregn-4-ene-3,20-dione
  • 19-norpregn-4-ene-3,20-dione, 21-(fluoro-18f)-16-methyl-, (16alpha)-
  • 21-fluoro-16-methyl-19-norprogesterone
  • 21-fmnp
CAS Number(s)
  • 134785-66-3
InChIKey KGNJETDQGQBSEF-LZCFKZKKSA-N
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