(11β,16Alpha)-9-Fluoro-11,17-Dihydroxy-16-Methyl-3,20-Dioxopregna-1,4-Dien-21-Yl Hydrogen Sulfate

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Formula C22H29FO8S
IUPAC Name [2-[(8s,9r,10s,11s,13s,14s,16r,17r)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] hydrogen sulfate
Molecular Mass 472.524 g·mol−1
Heat of Formation -1627.6 ± 16.7 kJ·mol−1
Dipole Moment 3.03 ± 1.08 D
Volume 513.06 Å 3
Surface Area 389.78 Å 2
HOMO Energy -9.92 ± 0.55 eV
LUMO Energy -0.54 ± eV
Point Group Symmetry C1
Synonyms
  • [2-[(8s,9r,10s,11s,13s,14s,16r,17r)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] hydrogen sulfate
  • [2-[(8s,9r,10s,11s,13s,14s,16r,17r)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] hydrogen sulfate
  • [2-[(8s,9r,10s,11s,13s,14s,16r,17r)-9-fluoro-11,17-dihydroxy-3-keto-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] hydrogen sulfate
  • dexamethasone 21-sulfate
  • dexamethasone sulfate ester
  • pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-(sulfooxy)-, (11beta,16alpha)-
  • pregna-1,4-diene-3,20-dione, 9-fluoro-11beta,17,21-trihydroxy-16alpha-methyl-, 21-(hydrogen sulfate)
CAS Number(s)
  • 7793-27-3
InChIKey URGVZGFGWFYRGP-CXSFZGCWSA-N
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