18,19-Dinorpregn-4-En-20-Yn-3-One, 1-(Acetyloxy)-13-Ethyl-17-Hydroxy-, (1β,17Alpha)-

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Properties Simple | Detailed

Formula C23H30O4
IUPAC Name [(1r,8r,9s,10r,13s,14s,17r)-13-ethyl-17-ethynyl-17-hydroxy-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-1-yl] acetate
Molecular Mass 370.482 g·mol−1
Heat of Formation -599.6 ± 16.7 kJ·mol−1
Dipole Moment 3.16 ± 1.08 D
Volume 419.17 Å 3
Surface Area 326.27 Å 2
HOMO Energy -9.85 ± 0.55 eV
LUMO Energy -0.01 ± eV
Point Group Symmetry C1
Synonyms
  • [(1r,8r,9s,10r,13s,14s,17r)-13-ethyl-17-ethynyl-17-hydroxy-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-1-yl] acetate
  • [(1r,8r,9s,10r,13s,14s,17r)-13-ethyl-17-ethynyl-17-hydroxy-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-1-yl] ethanoate
  • acetic acid [(1r,8r,9s,10r,13s,14s,17r)-13-ethyl-17-ethynyl-17-hydroxy-3-keto-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-1-yl] ester
  • acetic acid [(1r,8r,9s,10r,13s,14s,17r)-13-ethyl-17-ethynyl-17-hydroxy-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-1-yl] ester
InChIKey ZBPVWXFCEBSBMY-AULMYGDYSA-N
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