(6β,11β,16β)-9-Fluoro-6,11,17,21-Tetrahydroxy-16-Methylpregna-1,4-Diene-3,20-Dione

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Formula C22H29FO6
IUPAC Name (6r,8s,9r,10s,11s,13s,14s,16s,17r)-9-fluoro-6,11,17-trihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 408.460 g·mol−1
Heat of Formation -1265.3 ± 16.7 kJ·mol−1
Dipole Moment 6.35 ± 1.08 D
Volume 465.92 Å 3
Surface Area 354.54 Å 2
HOMO Energy -9.94 ± 0.55 eV
LUMO Energy 2.40 ± eV
Point Group Symmetry C1
Synonyms
  • (6r,8s,9r,10s,11s,13s,14s,16s,17r)-9-fluoro-17-glycoloyl-6,11,17-trihydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
  • (6r,8s,9r,10s,11s,13s,14s,16s,17r)-9-fluoro-6,11,17-trihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
  • (6r,8s,9r,10s,11s,13s,14s,16s,17r)-9-fluoro-6,11,17-trihydroxy-17-(2-hydroxyethanoyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
InChIKey RVBSTEHLLHXILB-DNVCMXBESA-N
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