(6α,16α)-6-Fluoro-17-Hydroxy-16-Methyl-3,20-Dioxopregna-4,9(11)-Dien-21-Yl Acetate

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Properties Simple | Detailed

Formula C24H31FO5
IUPAC Name [2-[(6s,8s,10r,13s,14s,16r,17r)-6-fluoro-17-hydroxy-10,13,16-trimethyl-3-oxo-2,6,7,8,12,14,15,16-octahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate
Molecular Mass 418.498 g·mol−1
Heat of Formation -1114.6 ± 16.7 kJ·mol−1
Dipole Moment 7.47 ± 1.08 D
Volume 495.47 Å 3
Surface Area 391.3 Å 2
HOMO Energy -9.73 ± 0.55 eV
LUMO Energy -0.19 ± eV
Point Group Symmetry C1
Synonyms
  • 6alpha-fluoro-17,21-dihydroxy-16alpha-methylpregna-4,9(11)-diene-3,20-dione 21-acetate
  • [2-[(6s,8s,10r,13s,14s,16r,17r)-6-fluoro-17-hydroxy-10,13,16-trimethyl-3-oxo-2,6,7,8,12,14,15,16-octahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate
  • [2-[(6s,8s,10r,13s,14s,16r,17r)-6-fluoro-17-hydroxy-10,13,16-trimethyl-3-oxo-2,6,7,8,12,14,15,16-octahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] ethanoate
  • [2-[(6s,8s,10r,13s,14s,16r,17r)-6-fluoro-17-hydroxy-10,13,16-trimethyl-3-oxo-2,6,7,8,12,14,15,16-octahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
  • acetic acid [2-[(6s,8s,10r,13s,14s,16r,17r)-6-fluoro-17-hydroxy-10,13,16-trimethyl-3-oxo-2,6,7,8,12,14,15,16-octahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester
  • acetic acid [2-[(6s,8s,10r,13s,14s,16r,17r)-6-fluoro-17-hydroxy-3-keto-10,13,16-trimethyl-2,6,7,8,12,14,15,16-octahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] ester
  • u 24067
CAS Number(s)
  • 1881-07-8
InChIKey YOLRNVJDBSRWRR-MQANLOPGSA-N
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