17A-Ethynyl-4,9,11-Estratrien-17B-Ol-3-One

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Properties Simple | Detailed

Formula C20H22O2
IUPAC Name (8s,13s,14s,17r)-17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 294.387 g·mol−1
Heat of Formation -36.6 ± 16.7 kJ·mol−1
Dipole Moment 5.47 ± 1.08 D
Volume 353.87 Å 3
Surface Area 290.05 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,13s,14s,17r)-17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
  • 17-alpha-ethynyl-17-beta-hydroxyestra-4,9,11-trien-3-one
  • 17-hydroxy-19-nor-17-alpha-pregna-4,9,11-trien-20-yn-3-one
  • 17-hydroxy-19-nor-17alpha-pregna-4,9,11-trien-20-yn-3-one
  • 17alpha-ethynyltrienolone
  • 19-nor-17-alpha-pregna-4,9,11-trien-20-yn-3-one, 17-hydroxy-
  • 19-nor-17alpha-pregna-4,9,11-trien-20-yn-3-one, 17-hydroxy- (8ci)
  • 19-norpregna-4,9,11-trien-20-yn-3-one, 17-hydroxy-, (17-alpha)- (9ci)
  • a 301
  • ethynyl trienolone
  • norgestrienone
  • norgestrienone [dcf:inn]
  • ogyline
  • planor
  • r 2010
CAS Number(s)
  • 848-21-5
InChIKey GVDMJXQHPUYPHP-FYQPLNBISA-N
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