(16α)-16-Ethyl-21-Fluoro-19-Norpregn-4-Ene-3,20-Dione

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Properties Simple | Detailed

Formula C22H31FO2
IUPAC Name (8r,9s,10r,13s,14s,16r,17s)-16-ethyl-17-(2-fluoroacetyl)-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-one
Molecular Mass 346.479 g·mol−1
Heat of Formation -663.3 ± 16.7 kJ·mol−1
Dipole Moment 1.58 ± 1.08 D
Volume 443.6 Å 3
Surface Area 349.19 Å 2
HOMO Energy -9.86 ± 0.55 eV
LUMO Energy -0.07 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,10r,13s,14s,16r,17s)-16-ethyl-17-(2-fluoro-1-oxoethyl)-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-one
  • (8r,9s,10r,13s,14s,16r,17s)-16-ethyl-17-(2-fluoroacetyl)-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-one
  • (8r,9s,10r,13s,14s,16r,17s)-16-ethyl-17-(2-fluoroethanoyl)-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-one
InChIKey XVMNSRXVKUOGOY-BILPMHSYSA-N
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