18,19-Dinorpregn-4-En-20-Yn-3-One, 17-(Acetyloxy)-13-Ethyl-, (17α)-(+-)-

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Properties Simple | Detailed

Formula C23H30O3
IUPAC Name [(8r,9s,10r,13s,14s,17r)-13-ethyl-17-ethynyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
Molecular Mass 354.483 g·mol−1
Heat of Formation -419.7 ± 16.7 kJ·mol−1
Dipole Moment 5.23 ± 1.08 D
Volume 408.34 Å 3
Surface Area 320.14 Å 2
HOMO Energy -9.78 ± 0.55 eV
LUMO Energy 0.01 ± eV
Point Group Symmetry C1
Synonyms
  • 3-ketonorgestimate
  • [(8r,9s,10r,13s,14s,17r)-13-ethyl-17-ethynyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
  • [(8r,9s,10r,13s,14s,17r)-13-ethyl-17-ethynyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] ethanoate
  • acetic acid [(8r,9s,10r,13s,14s,17r)-13-ethyl-17-ethynyl-3-keto-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] ester
  • acetic acid [(8r,9s,10r,13s,14s,17r)-13-ethyl-17-ethynyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] ester
  • norgestrel acetate
CAS Number(s)
  • 18290-31-8
InChIKey YDQDJLTYVZAOQX-GOMYTPFNSA-N
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