9α-Fluorocortisone

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Properties Simple | Detailed

Formula C21H27FO5
IUPAC Name (8s,9r,10s,13s,14s,17r)-9-fluoro-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,12,14,15,16-octahydro-1h-cyclopenta[a]phenanthrene-3,11-dione
Molecular Mass 378.434 g·mol−1
Heat of Formation -1132.8 ± 16.7 kJ·mol−1
Dipole Moment 5.52 ± 1.08 D
Volume 435.9 Å 3
Surface Area 337.3 Å 2
HOMO Energy -9.86 ± 0.55 eV
LUMO Energy -0.16 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9r,10s,13s,14s,17r)-9-fluoro-17-glycoloyl-17-hydroxy-10,13-dimethyl-2,6,7,8,12,14,15,16-octahydro-1h-cyclopenta[a]phenanthrene-3,11-quinone
  • (8s,9r,10s,13s,14s,17r)-9-fluoro-17-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-2,6,7,8,12,14,15,16-octahydro-1h-cyclopenta[a]phenanthrene-3,11-dione
  • (8s,9r,10s,13s,14s,17r)-9-fluoro-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,12,14,15,16-octahydro-1h-cyclopenta[a]phenanthrene-3,11-dione
  • (8s,9r,10s,13s,14s,17r)-9-fluoro-17-hydroxy-17-(2-hydroxyethanoyl)-10,13-dimethyl-2,6,7,8,12,14,15,16-octahydro-1h-cyclopenta[a]phenanthrene-3,11-dione
InChIKey BHDHELFREODRJK-XRYUJSLGSA-N
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