1,2-Propanedione, 1-((11β,17Alpha)-17-(Acetyloxy)-11-Hydroxy-3-Oxoandrosta-1,4-Dien-17-Yl)-

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Properties Simple | Detailed

Formula C24H30O6
IUPAC Name [(8s,9s,10r,11s,13s,14s,17r)-11-hydroxy-10,13-dimethyl-3-oxo-17-(2-oxopropanoyl)-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-yl] acetate
Molecular Mass 414.491 g·mol−1
Heat of Formation -1037.4 ± 16.7 kJ·mol−1
Dipole Moment 5.01 ± 1.08 D
Volume 492.31 Å 3
Surface Area 376.62 Å 2
HOMO Energy -9.74 ± 0.55 eV
LUMO Energy 2.67 ± eV
Point Group Symmetry C1
Synonyms
  • [(8s,9s,10r,11s,13s,14s,17r)-11-hydroxy-10,13-dimethyl-3-oxo-17-(2-oxopropanoyl)-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-yl] acetate
  • [(8s,9s,10r,11s,13s,14s,17r)-11-hydroxy-10,13-dimethyl-3-oxo-17-(2-oxopropanoyl)-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-yl] ethanoate
  • acetic acid [(8s,9s,10r,11s,13s,14s,17r)-11-hydroxy-3-keto-10,13-dimethyl-17-pyruvoyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-yl] ester
  • acetic acid [(8s,9s,10r,11s,13s,14s,17r)-17-(1,2-dioxopropyl)-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-yl] ester
InChIKey ZTJCOOSHTYASGD-LNJFAXJLSA-N
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