(3E,8R,9S,10R,13S,14S,17R)-13-Ethyl-17-Ethynyl-3-(Hydroxyimino)-2,3,6,7,8,9,10,11,12,13,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Ol

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Properties Simple | Detailed

Formula C21H29NO2
IUPAC Name (8r,9s,10r,13s,14s,17r)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one oxime
Molecular Mass 327.460 g·mol−1
Heat of Formation -87.8 ± 16.7 kJ·mol−1
Dipole Moment 2.41 ± 1.08 D
Volume 379.07 Å 3
Surface Area 295.07 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy 0.21 ± eV
Point Group Symmetry C1
Synonyms
  • (3e,8r,9s,10r,13s,14s,17r)-13-ethyl-17-ethynyl-3-hydroxyimino-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol
  • (8r,9s,10r,13s,14s,17r)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one oxime
  • (8r,9s,10r,13s,14s,17r)-13-ethyl-17-ethynyl-3-hydroxyimino-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol
  • 17-deacetylnorgestimate
  • 18,19-dinorpregn-4-en-20-yn-3-one, 13-ethyl-17-hydroxy-, oxime, (17alpha)-
  • 18,19-dinorpregn-4-en-20-yn-3-one, 13-ethyl-17-hydroxy-, oxime, (8-alpha,9-beta,10-alpha,13-alpha,14-beta)-
  • 18-methylnorethindrone oxime
  • d-norgestrel 3-oxime
  • d05205
  • evra
  • levonorgestrel oxime
  • norelgestromin
  • norelgestromin (usan)
  • norplant 3-oxime
  • rwj 10553
CAS Number(s)
  • 53016-31-2
InChIKey ISHXLNHNDMZNMC-VTKCIJPMSA-N
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