21-(~18~F)Fluoro-17-Hydroxypregna-1,4-Diene-3,11,20-Trione

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Properties Simple | Detailed

Formula C21H25FO4
IUPAC Name (8s,9s,10r,13s,14s,17r)-17-(2-fluoroacetyl)-17-hydroxy-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione
Molecular Mass 359.422 g·mol−1
Heat of Formation -841.7 ± 16.7 kJ·mol−1
Dipole Moment 4.97 ± 1.08 D
Volume 422.81 Å 3
Surface Area 332.05 Å 2
HOMO Energy -9.90 ± 0.55 eV
LUMO Energy 2.46 ± eV
Point Group Symmetry C1
Synonyms
  • 21-(fluoro-18f)-17-hydroxypregna-1,4-diene-3,11,20-trione
  • 21-fluoroprednisone
  • pregna-1,4-diene-3,11,20-trione, 21-(fluoro-18f)-17-hydroxy-
CAS Number(s)
  • 110558-69-5
InChIKey QQWLPAPHNPKYGT-JHZVGIEFSA-N
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