(2α)-3,20-Dioxopregn-4-Ene-2-Carbonitrile

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Formula C22H29NO2
IUPAC Name (2s,8s,9s,10r,13s,14s,17s)-17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-2-carbonitrile
Molecular Mass 339.471 g·mol−1
Heat of Formation -338.2 ± 16.7 kJ·mol−1
Dipole Moment 5.12 ± 1.08 D
Volume 436.12 Å 3
Surface Area 345.76 Å 2
HOMO Energy -10.15 ± 0.55 eV
LUMO Energy -0.47 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,8s,9s,10r,13s,14s,17s)-17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-2-carbonitrile
  • (2s,8s,9s,10r,13s,14s,17s)-17-acetyl-3-keto-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-2-carbonitrile
  • (2s,8s,9s,10r,13s,14s,17s)-17-ethanoyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-2-carbonitrile
  • 2-cyanoprogesterone
  • pregn-4-ene-2-carbonitrile, 3,20-dioxo-, (2-alpha)-
CAS Number(s)
  • 95160-20-6
InChIKey LCBHEXVEFLXMAU-PXMSCXOESA-N
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