Clocortolone

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Formula C22H28ClFO4
IUPAC Name (6s,8s,9r,10s,11s,13s,14s,16r,17s)-9-chloro-6-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,11,12,14,15,16,17-octahydro-6h-cyclopenta[a]phenanthren-3-one
Molecular Mass 410.907 g·mol−1
Heat of Formation -979.8 ± 16.7 kJ·mol−1
Dipole Moment 5.77 ± 1.08 D
Volume 468.95 Å 3
Surface Area 356.05 Å 2
HOMO Energy -9.96 ± 0.55 eV
LUMO Energy -0.62 ± eV
Point Group Symmetry C1
Synonyms
  • (6s,8s,9r,10s,11s,13s,14s,16r,17s)-9-chloro-6-fluoro-11-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13,16-trimethyl-7,8,11,12,14,15,16,17-octahydro-6h-cyclopenta[a]phenanthren-3-one
  • (6s,8s,9r,10s,11s,13s,14s,16r,17s)-9-chloro-6-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,11,12,14,15,16,17-octahydro-6h-cyclopenta[a]phenanthren-3-one
  • (6s,8s,9r,10s,11s,13s,14s,16r,17s)-9-chloro-6-fluoro-11-hydroxy-17-(2-hydroxyethanoyl)-10,13,16-trimethyl-7,8,11,12,14,15,16,17-octahydro-6h-cyclopenta[a]phenanthren-3-one
  • (6s,8s,9r,10s,11s,13s,14s,16r,17s)-9-chloro-6-fluoro-17-glycoloyl-11-hydroxy-10,13,16-trimethyl-7,8,11,12,14,15,16,17-octahydro-6h-cyclopenta[a]phenanthren-3-one
InChIKey YMTMADLUXIRMGX-RFPWEZLHSA-N
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