4-Ethenylidene-5α-Androstane-3,17-Dione

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Properties Simple | Detailed

Formula C21H28O2
IUPAC Name (5r,8r,9s,10r,13s,14s)-10,13-dimethyl-4-vinylidene-1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione
Molecular Mass 312.446 g·mol−1
Heat of Formation -329.8 ± 16.7 kJ·mol−1
Dipole Moment 3.02 ± 1.08 D
Volume 406.0 Å 3
Surface Area 322.49 Å 2
HOMO Energy -9.79 ± 0.55 eV
LUMO Energy 0.07 ± eV
Point Group Symmetry C1
Synonyms
  • (5r,8r,9s,10r,13s,14s)-10,13-dimethyl-4-vinylidene-1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione
  • (5r,8r,9s,10r,13s,14s)-10,13-dimethyl-4-vinylidene-1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-quinone
  • (5r,8r,9s,10r,13s,14s)-4-ethenylidene-10,13-dimethyl-1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione
  • 4-eaad
  • 4-ethenylideneandrostane-3,17-dione
  • androstane-3,17-dione, 4-ethenylidene-, (5alpha)-
CAS Number(s)
  • 84958-35-0
InChIKey WXYVGJCVJGOCJD-KZVLABISSA-N
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