(11B,16B)-9-Fluoro-11,17-Dihydroxy-16-Methyl-21-(Phosphonooxy)Pregna-1,4-Diene-3,20-Dione

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Properties Simple | Detailed

Formula C22H30FO8P
IUPAC Name [2-[(8s,9r,10s,11s,13s,14s,16s,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] dihydrogen phosphate
Molecular Mass 472.441 g·mol−1
Heat of Formation -1900.1 ± 16.7 kJ·mol−1
Dipole Moment 3.21 ± 1.08 D
Volume 519.85 Å 3
Surface Area 402.86 Å 2
HOMO Energy -9.62 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
Synonyms
  • 9-fluoro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 21-(hydrogen phosphonate)
  • [2-[(8s,9r,10s,11s,13s,14s,16s,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] dihydrogen phosphate
  • [2-[(8s,9r,10s,11s,13s,14s,16s,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] dihydrogen phosphate
  • [2-[(8s,9r,10s,11s,13s,14s,16s,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] dihydrogen phosphate
  • betamethasone 21-phosphate
  • betamethasone dihydrogen phosphate
  • betamethasone phosphate
  • pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-(phosphonooxy)-, (11beta,16beta)-
  • pregna-1,4-diene-3,20-dione, 9-fluoro-11-beta,17,21-trihydroxy-16-beta-methyl-, 21-(dihydrogen phosphate)
InChIKey VQODGRNSFPNSQE-DVTGEIKXSA-N
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