(8A,9B,10A,13A,14B)-13-Ethyl-17-Hydroxy-18,19-Dinorpregn-4-En-20-Yn-3-One

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Formula C21H28O2
IUPAC Name (8s,9r,10s,13r,14r,17s)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 312.446 g·mol−1
Heat of Formation -226.1 ± 16.7 kJ·mol−1
Dipole Moment 4.75 ± 1.08 D
Volume 360.5 Å 3
Surface Area 282.9 Å 2
HOMO Energy -9.76 ± 0.55 eV
LUMO Energy 0.04 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-norgestrel
  • (8s,9r,10s,13r,14r,17s)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
  • 18,19-dinorpregn-4-en-20-yn-3-one, 13-ethyl-17-hydroxy-, (8-alpha,9-beta,10-alpha,13-alpha,14-beta)-
  • dextronorgestrel
  • l-norgestrel
  • norgestrel (+)-form
CAS Number(s)
  • 150200-16-1
  • 76497-12-6
  • 797-64-8
InChIKey WWYNJERNGUHSAO-XHCJJCCMSA-N
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