Telapristone Acetate

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Properties Simple | Detailed

Formula C31H39NO5
IUPAC Name [(8s,11r,13s,14s,17r)-11-[4-(dimethylamino)phenyl]-17-(2-methoxyacetyl)-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate
Molecular Mass 505.645 g·mol−1
Heat of Formation -772.4 ± 16.7 kJ·mol−1
Dipole Moment 4.24 ± 1.08 D
Volume 625.7 Å 3
Surface Area 475.75 Å 2
HOMO Energy -8.20 ± 0.55 eV
LUMO Energy -0.64 ± eV
Point Group Symmetry C1
Synonyms
  • [(8s,11r,13s,14s,17r)-11-(4-dimethylaminophenyl)-17-(2-methoxyacetyl)-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate
  • [(8s,11r,13s,14s,17r)-11-(4-dimethylaminophenyl)-17-(2-methoxyethanoyl)-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] ethanoate
  • acetic acid [(8s,11r,13s,14s,17r)-11-(4-dimethylaminophenyl)-17-(2-methoxy-1-oxoethyl)-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] ester
  • acetic acid [(8s,11r,13s,14s,17r)-11-(4-dimethylaminophenyl)-3-keto-17-(2-methoxyacetyl)-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] ester
InChIKey JVBGZFRPTRKSBB-MJBQOYBXSA-N
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