(5α,17α)-17-Hydroxy-19-Norpregn-20-Yn-3-One

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Properties Simple | Detailed

Formula C20H28O2
IUPAC Name (5s,8r,9r,10s,13s,14s,17r)-17-ethynyl-17-hydroxy-13-methyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 300.435 g·mol−1
Heat of Formation -305.7 ± 16.7 kJ·mol−1
Dipole Moment 3.47 ± 1.08 D
Volume 393.33 Å 3
Surface Area 317.99 Å 2
HOMO Energy -9.87 ± 0.55 eV
LUMO Energy 0.97 ± eV
Point Group Symmetry C1
Synonyms
  • (5s,8r,9r,10s,13s,14s,17r)-17-ethynyl-17-hydroxy-13-methyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-one
  • 17-hydroxy-19-norpregn-20-yn-3-one (5-alpha,17-alpha)-
  • 19-nor-5-alpha,17-alpha-pregn-20-yn-3-one, 17-hydroxy- (6ci,7ci,8ci)
  • 19-norpregn-20-yn-3-one, 17-hydroxy-, (5-alpha,17-alpha)-
  • 19-norpregn-20-yn-3-one, 17-hydroxy-, (5alpha,17alpha)-
  • 5-alpha-dihydro-19-norethisterone
  • 5-alpha-dihydronorethindrone
  • 5-alpha-dihydronorethisterone
  • 5alpha-dihydronorethindrone
CAS Number(s)
  • 52-79-9
InChIKey OMGILQMNIZWNOK-XDQPPUBWSA-N
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