Cyanoketone

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Formula C23H33NO2
IUPAC Name (2s,8r,9s,10r,13s,14s,17s)-17-hydroxy-4,4,10,13,17-pentamethyl-3-oxo-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-2-carbonitrile
Molecular Mass 355.514 g·mol−1
Heat of Formation -415.7 ± 16.7 kJ·mol−1
Dipole Moment 3.98 ± 1.08 D
Volume 463.46 Å 3
Surface Area 353.94 Å 2
HOMO Energy -9.76 ± 0.55 eV
LUMO Energy 0.36 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,8r,9s,10r,13s,14s,17s)-17-hydroxy-3-keto-4,4,10,13,17-pentamethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-2-carbonitrile
  • (2s,8r,9s,10r,13s,14s,17s)-17-hydroxy-4,4,10,13,17-pentamethyl-3-oxo-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-2-carbonitrile
  • 2-alpha-cyano-4,4,17-alpha-trimethylandrost-5-en-17-beta-ol-3-one
  • 2alpha-cyano-4,4,17alpha-trimethyl-17beta-hydroxy androst-5-ene-3-one
  • 2alpha-cyano-4,4,17alpha-trimethyl-3-oxo-5-androstene-17beta-ol
  • 2alpha-cyano-4,4,17alpha-trimethylandrost-5-en-17beta-ol-3-one
  • androst-5-ene-2-alpha-carbonitrile, 17-beta-hydroxy-4,4,17-trimethyl-3-oxo-
  • cyanotrimethylandrostenolone
CAS Number(s)
  • 4248-66-2
InChIKey GTBRTGPZZALPNS-MXHVRSFHSA-N
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