Gestronol Caproate

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Properties Simple | Detailed

Formula C26H38O4
IUPAC Name [(8r,9s,10r,13s,14s,17r)-17-acetyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] hexanoate
Molecular Mass 414.578 g·mol−1
Heat of Formation -933.7 ± 16.7 kJ·mol−1
Dipole Moment 2.15 ± 1.08 D
Volume 531.05 Å 3
Surface Area 393.54 Å 2
HOMO Energy -9.83 ± 0.55 eV
LUMO Energy -0.05 ± eV
Point Group Symmetry C1
Synonyms
  • 17-acetyl-3-oxoestr-4-en-17-yl hexanoate
  • 19-norpregn-4-ene-3,20-dione, {17-[(1-oxohexyl)oxy]-}
  • [(8r,9s,10r,13s,14s,17r)-17-acetyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] hexanoate
  • [(8r,9s,10r,13s,14s,17r)-17-ethanoyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] hexanoate
  • d01159
  • depostat
  • gestonorone caproate
  • gestonorone caproate (jan/usan)
  • hexanoic acid [(8r,9s,10r,13s,14s,17r)-17-acetyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] ester
  • hexanoic acid [(8r,9s,10r,13s,14s,17r)-17-acetyl-3-keto-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] ester
CAS Number(s)
  • 1253-28-7
InChIKey XURCMZMFZXXQDJ-UKNJCJGYSA-N
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