(11β,16Alpha)-9-Fluoro-11-Hydroxy-16-Methyl-17,21-Epoxypregna-1,4-Diene-3,20-Dione

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Formula C22H27FO4
IUPAC Name (8s,9r,10s,11s,13s,14s,16r,17r)-9-fluoro-11-hydroxy-10,13,16-trimethyl-spiro[6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17,2'-oxetane]-3,3'-dione
Molecular Mass 374.446 g·mol−1
Heat of Formation -769.0 ± 16.7 kJ·mol−1
Dipole Moment 6.31 ± 1.08 D
Volume 440.58 Å 3
Surface Area 337.98 Å 2
HOMO Energy -9.74 ± 0.55 eV
LUMO Energy -0.35 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9r,10s,11s,13s,14s,16r,17r)-9-fluoro-11-hydroxy-10,13,16-trimethyl-spiro[6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17,2'-oxetane]-3,3'-dione
  • (8s,9r,10s,11s,13s,14s,16r,17r)-9-fluoro-11-hydroxy-10,13,16-trimethyl-spiro[6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17,2'-oxetane]-3,3'-quinone
  • (8s,9r,10s,11s,13s,14s,16r,17r)-9-fluoro-11-hydroxy-10,13,16-trimethylspiro[6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17,2'-oxetane]-3,3'-dione
InChIKey PLIOZIVVVLFDAA-CXSFZGCWSA-N
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