Betamethasone 17-Benzoate

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Properties Simple | Detailed

Formula C26H35FO6
IUPAC Name [(8s,9r,10s,11s,13s,14s,16s,17r)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] benzoate
Molecular Mass 462.551 g·mol−1
Heat of Formation -1148.8 ± 16.7 kJ·mol−1
Dipole Moment 4.09 ± 1.08 D
Volume 576.68 Å 3
Surface Area 430.91 Å 2
HOMO Energy -9.78 ± 0.55 eV
LUMO Energy -0.97 ± eV
Point Group Symmetry C1
Synonyms
  • (11beta,16beta)-9-fluoro-11,21-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl benzoate
  • [(8s,9r,10s,11s,13s,14s,16s,17r)-9-fluoro-11-hydroxy-17-(2-hydroxyethanoyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] benzoate
  • benzoic acid [(8s,9r,10s,11s,13s,14s,16s,17r)-9-fluoro-11-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester
  • benzoic acid [(8s,9r,10s,11s,13s,14s,16s,17r)-9-fluoro-17-glycoloyl-11-hydroxy-3-keto-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester
  • betamethasone benzoate
  • betamethasone benzoate (usp)
  • d02286
CAS Number(s)
  • 22298-29-9
InChIKey SOQJPQZCPBDOMF-YCUXZELOSA-N
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