(3E,17α)-3-(Hydroxyimino)-19-Norpregn-4-En-20-Yn-17-Ol

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Formula C20H27NO2
IUPAC Name (8r,9s,10r,13s,14s,17r)-17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one oxime
Molecular Mass 313.434 g·mol−1
Heat of Formation -73.3 ± 16.7 kJ·mol−1
Dipole Moment 2.30 ± 1.08 D
Volume 396.65 Å 3
Surface Area 323.41 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy 0.17 ± eV
Point Group Symmetry C1
Synonyms
  • (3e,8r,9s,10r,13s,14s,17r)-17-ethynyl-3-hydroxyimino-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol
  • (8r,9s,10r,13s,14s,17r)-17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one oxime
  • 17-hydroxy-19-nor-17-alpha-pregn-4-en-20-yn-3-one oxime
  • 19-nor-17-alpha-pregn-4-en-20-yn-3-one, 17-hydroxy-, oxime
  • 19-norpregn-4-en-20-yn-3-one, 17-hydroxy-, oxime, (17-alpha)- (9ci)
  • norethindrone oxime
  • norethisterone-3-oxime
  • so-33
CAS Number(s)
  • 23965-86-8
InChIKey CACLDHHVRLSJEY-ONWYLSRGSA-N
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