6A,9A-Difluoro-16A-Methyl-1-Dehydrocorticosterone

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Formula C22H28F2O4
IUPAC Name (6s,8s,9r,10s,11s,13s,14s,16r,17s)-6,9-difluoro-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 394.452 g·mol−1
Heat of Formation -1105.2 ± 16.7 kJ·mol−1
Dipole Moment 5.84 ± 1.08 D
Volume 459.25 Å 3
Surface Area 352.92 Å 2
HOMO Energy -9.93 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
Synonyms
  • (6s,8s,9r,10s,11s,13s,14s,16r,17s)-6,9-difluoro-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)-6,9-difluoro-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)-6,9-difluoro-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)-6,9-difluoro-17-glycoloyl-11-hydroxy-10,13,16-trimethyl-7,8,11,12,14,15,16,17-octahydro-6h-cyclopenta[a]phenanthren-3-one
  • d03812
  • diflucortolone (usan)
InChIKey OGPWIDANBSLJPC-RFPWEZLHSA-N
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