(17α)-17-Hydroxy-19-Norpregna-1,3,5(10)-Trien-20-Yn-3-Yl 2-Propanesulfonate

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Properties Simple | Detailed

Formula C23H30O4S
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] propane-2-sulfonate
Molecular Mass 402.547 g·mol−1
Heat of Formation -544.2 ± 16.7 kJ·mol−1
Dipole Moment 4.30 ± 1.08 D
Volume 404.79 Å 3
Surface Area 356.56 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy 0.15 ± eV
Point Group Symmetry C1
Synonyms
  • 17alpha-ethinyl-3-isopropylsulfonyloxyestradiol
  • 19-norpregna-1,3,5(10)-trien-20-yne-3,17-diol, 3-(2-propanesulfonate), (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] propane-2-sulfonate
  • ethinyl estradiol isopropylsulfonate
  • propane-2-sulfonic acid [(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] ester
  • turisteron
CAS Number(s)
  • 28913-23-7
InChIKey KPEUDULLQDHKAZ-VROINQGHSA-N
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