17-Oxoestra-1,3,5(10)-Trien-3-Yl Dipropylcarbamate

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Properties Simple | Detailed

Formula C25H35NO3
IUPAC Name [(8r,9s,13s,14s)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-3-yl] n,n-dipropylcarbamate
Molecular Mass 397.550 g·mol−1
Heat of Formation -635.4 ± 16.7 kJ·mol−1
Dipole Moment 5.64 ± 1.08 D
Volume 511.07 Å 3
Surface Area 430.47 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy 0.23 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(((dipropylamino)carbonyl)oxy)estra-1,3,5(10)-trein-17-one
  • [(8r,9s,13s,14s)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-3-yl] n,n-dipropylcarbamate
  • estra-1,3,5(10)-trein-17-one, 3-(((dipropylamino)carbonyl)oxy)-
  • ly 186564
  • ly-186564
  • n,n-dipropylcarbamic acid [(8r,9s,13s,14s)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-3-yl] ester
  • n,n-dipropylcarbamic acid [(8r,9s,13s,14s)-17-keto-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-3-yl] ester
CAS Number(s)
  • 143982-31-4
InChIKey SHFOTONKLZJXED-APDHKMKFSA-N
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