(17α)-17-Hydroxy-19-Norpregna-1,3,5(10)-Trien-20-Yn-3-Yl Hydrogen Sulfate

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Formula C20H24O5S
IUPAC Name [(8r,9s,13s,14s,17r)-17-ethynyl-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
Molecular Mass 376.467 g·mol−1
Heat of Formation -667.7 ± 16.7 kJ·mol−1
Dipole Moment 3.16 ± 1.08 D
Volume 344.35 Å 3
Surface Area 316.35 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy -0.46 ± eV
Point Group Symmetry C1
Synonyms
  • 19-norpregna-1,3,5(10)-trien-20-yne-3,17-diol, 3-(hydrogen sulfate), (17alpha)-
  • [(8r,9s,13s,14s,17r)-17-ethynyl-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
  • ethinyl estradiol sulfate
  • ethinyl estradiol sulfonate
  • ethinylestradiol-3-sulfate
  • ethynylestradiol sulphate
  • ethynylestradiol-3-sulfate
CAS Number(s)
  • 24560-70-1
InChIKey WLGIWVFFGMPRLM-SLHNCBLASA-N
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