13B-Ethyl-17A-Ethynyl-D4,9,11-Gonatriene-17B-Ol-3-One

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Properties Simple | Detailed

Formula C21H24O2
IUPAC Name (8s,13s,14s,17r)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 308.414 g·mol−1
Heat of Formation -50.5 ± 16.7 kJ·mol−1
Dipole Moment 5.63 ± 1.08 D
Volume 339.82 Å 3
Surface Area 274.28 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
Synonyms
  • (17alpha)-13-ethyl-17-hydroxy-18,19-dinorpregna-4,9,11-trien-20-yn-3-one
  • (8s,13s,14s,17r)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
  • 13-beta-ethyl-17-alpha-ethinyl-17-hydroxy-gona-4,9,11-triene-3-one
  • 13-ethyl-17-alpha-ethinyl-17-hydroxygon-4,9,11-trien-3-one
  • 13-ethyl-17-hydroxy-18,19-dinor-17alpha-pregna-4,9,11-trien-20-yn-3-one
  • 18,19-dinor-17-alpha-pregna-4,9,11-trien-20-yn-3-one, 13-ethyl-17-hydroxy-
  • 18,19-dinorpregna-4,9,11-trien-20-yn-3-one, 13-ethyl-17-hydroxy-, (17-alpha)- (9ci)
  • a-46745
  • d04317
  • dimetriose
  • dimetrose
  • gestrigone
  • gestrinone
  • nemestran
  • pregna-4,9,11-trien-20-yn-3-one, 13-ethyl-17-hydroxy-18,19-dinor-, (17alpha)-
  • ru 2323
  • tridomose
CAS Number(s)
  • 16320-04-0
  • 40542-65-2
InChIKey BJJXHLWLUDYTGC-ANULTFPQSA-N
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