(6α,16α)-6-Fluoro-17,21-Dihydroxy-16-Methylpregna-4,9(11)-Diene-3,20-Dione

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Properties Simple | Detailed

Formula C22H29FO4
IUPAC Name (6s,8s,10r,13s,14s,16r,17r)-6-fluoro-17-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-2,6,7,8,12,14,15,16-octahydro-1h-cyclopenta[a]phenanthren-3-one
Molecular Mass 376.462 g·mol−1
Heat of Formation -921.2 ± 16.7 kJ·mol−1
Dipole Moment 4.50 ± 1.08 D
Volume 449.97 Å 3
Surface Area 352.16 Å 2
HOMO Energy -9.88 ± 0.55 eV
LUMO Energy -0.29 ± eV
Point Group Symmetry C1
Synonyms
  • (6s,8s,10r,13s,14s,16r,17r)-6-fluoro-17-glycoloyl-17-hydroxy-10,13,16-trimethyl-2,6,7,8,12,14,15,16-octahydro-1h-cyclopenta[a]phenanthren-3-one
  • (6s,8s,10r,13s,14s,16r,17r)-6-fluoro-17-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13,16-trimethyl-2,6,7,8,12,14,15,16-octahydro-1h-cyclopenta[a]phenanthren-3-one
  • (6s,8s,10r,13s,14s,16r,17r)-6-fluoro-17-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-2,6,7,8,12,14,15,16-octahydro-1h-cyclopenta[a]phenanthren-3-one
  • (6s,8s,10r,13s,14s,16r,17r)-6-fluoro-17-hydroxy-17-(2-hydroxyethanoyl)-10,13,16-trimethyl-2,6,7,8,12,14,15,16-octahydro-1h-cyclopenta[a]phenanthren-3-one
  • 6-fluoro-17,21-dihydroxy-16-methylpregna-4,9(11)-diene-3,20-dione
  • 6alpha-fluoro-17,21-dihydroxy-16beta-methylpregna-4,9(11)-diene-3,20-dione
  • pregna-4,9(11)-diene-3,20-dione, 6-fluoro-17,21-dihydroxy-16-methyl-, (6alpha,16alpha)-
  • u 42129
  • u 72745g
  • u-42129
  • u-72,745g
  • u-72745g
CAS Number(s)
  • 378-61-0
InChIKey MUEOUHRWNRABSW-XUOSUNSOSA-N
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