Ulobetasol

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Formula C22H27ClF2O4
IUPAC Name (6s,8s,9r,10s,11s,13s,14s,16s,17r)-17-(2-chloroacetyl)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 428.897 g·mol−1
Heat of Formation -1136.4 ± 16.7 kJ·mol−1
Dipole Moment 4.32 ± 1.08 D
Volume 476.72 Å 3
Surface Area 360.35 Å 2
HOMO Energy -9.98 ± 0.55 eV
LUMO Energy -0.64 ± eV
Point Group Symmetry C1
Synonyms
  • (6s,8s,9r,10s,11s,13s,14s,16s,17r)-17-(2-chloro-1-oxoethyl)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
  • (6s,8s,9r,10s,11s,13s,14s,16s,17r)-17-(2-chloroacetyl)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
  • (6s,8s,9r,10s,11s,13s,14s,16s,17r)-17-(2-chloroethanoyl)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
InChIKey LEHFPXVYPMWYQD-XHIJKXOTSA-N
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Elements H C F O Cl