(6α,11Beta,16α)-6-Fluoro-11-Hydroxy-16-Methyl-3,20-Dioxopregna-1,4-Dien-21-Oic Acid

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Formula C22H27FO5
IUPAC Name 2-[(6s,8s,9s,10r,11s,13s,14s,16r,17s)-6-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-acetic acid
Molecular Mass 390.445 g·mol−1
Heat of Formation -1055.7 ± 16.7 kJ·mol−1
Dipole Moment 5.25 ± 1.08 D
Volume 456.84 Å 3
Surface Area 353.93 Å 2
HOMO Energy -9.94 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(6s,8s,9s,10r,11s,13s,14s,16r,17s)-6-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-acetic acid
  • 2-[(6s,8s,9s,10r,11s,13s,14s,16r,17s)-6-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethanoic acid
  • 2-[(6s,8s,9s,10r,11s,13s,14s,16r,17s)-6-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoacetic acid
  • 2-[(6s,8s,9s,10r,11s,13s,14s,16r,17s)-6-fluoro-11-hydroxy-3-keto-10,13,16-trimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-keto-acetic acid
InChIKey PUWHHWCHAVXSIG-NCLPIGKXSA-N
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