(8S,13S,14S,17S)-17-[(2R)-2-Fluoropropanoyl]-13,17-Dimethyl-1,2,6,7,8,11,12,13,14,15,16,17-Dodecahydro-3H-Cyclopenta[A]Phenanthren-3-One

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Properties Simple | Detailed

Formula C22H29FO2
IUPAC Name (8s,13s,14s,17s)-17-[(2r)-2-fluoropropanoyl]-13,17-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 344.463 g·mol−1
Heat of Formation -600.4 ± 16.7 kJ·mol−1
Dipole Moment 3.08 ± 1.08 D
Volume 428.52 Å 3
Surface Area 342.52 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy -0.77 ± eV
Point Group Symmetry C1
Synonyms
  • (17beta(s))-17-(2-fluoro-1-oxopropyl)-17-methylestra-4,9-dien-3-one
  • (8s,13s,14s,17s)-17-[(2r)-2-fluoro-1-oxopropyl]-13,17-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
  • (8s,13s,14s,17s)-17-[(2r)-2-fluoropropanoyl]-13,17-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
  • 21(r)-fluoro-r5020
  • 21(s)-fluoro-r5020
  • 21-f-r 5020
  • 21-fluoropromegestone
CAS Number(s)
  • 128855-74-3
InChIKey AQJLFHHHAYTPCE-PWGGLJECSA-N
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