2α-Methyl-9α-Fluorocortisol

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Formula C22H31FO5
IUPAC Name (2r,8s,9r,10s,11s,13s,14s,17r)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-2,10,13-trimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 394.477 g·mol−1
Heat of Formation -1188.2 ± 16.7 kJ·mol−1
Dipole Moment 2.30 ± 1.08 D
Volume 461.75 Å 3
Surface Area 355.81 Å 2
HOMO Energy -9.87 ± 0.55 eV
LUMO Energy -0.20 ± eV
Point Group Symmetry C1
Synonyms
  • (2alpha,11beta)-9-fluoro-11,17,21-trihydroxy-2-methylpregn-4-ene-3,20-dione
  • (2r,8s,9r,10s,11s,13s,14s,17r)-9-fluoro-11,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-2,10,13-trimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
  • (2r,8s,9r,10s,11s,13s,14s,17r)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-2,10,13-trimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
  • (2r,8s,9r,10s,11s,13s,14s,17r)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyethanoyl)-2,10,13-trimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
  • (2r,8s,9r,10s,11s,13s,14s,17r)-9-fluoro-17-glycoloyl-11,17-dihydroxy-2,10,13-trimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
CAS Number(s)
  • 432-34-8
InChIKey YUCOGNZKLOYCGL-CPEVGGJCSA-N
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