(3α,17α)-19-Norpregn-5(10)-En-20-Yne-3,17-Diol

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Properties Simple | Detailed

Formula C20H28O2
IUPAC Name (3r,8r,9s,13s,14s,17r)-17-ethynyl-13-methyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1h-cyclopenta[a]phenanthrene-3,17-diol
Molecular Mass 300.435 g·mol−1
Heat of Formation -271.8 ± 16.7 kJ·mol−1
Dipole Moment 0.70 ± 1.08 D
Volume 370.59 Å 3
Surface Area 296.51 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy 1.20 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,8r,9s,13s,14s,17r)-17-ethynyl-13-methyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1h-cyclopenta[a]phenanthrene-3,17-diol
  • 17-alpha-ethynyl-estr-5(10)-ene-3-alpha,17-beta-diol
  • 17alpha-ethynyl-estr-5(10)-ene-3alpha,17beta-diol
  • 17alpha-ethynylestr-5(10)-ene-3alpha,17beta-diol
  • 19-nor-17-alpha-pregn-5(10)-en-20-yne-3-alpha,17-diol
  • 19-nor-17alpha-pregn-5(10)-en-20-yne-3alpha,17-diol (8ci)
  • 19-nor-17alpha-pregn-5(10)-en-20-yne-3alpha,17beta-diol
  • 19-nor-17alpha-pregn-5(10)-en-20-yne-3alpha-17beta-diol
  • 19-norpregn-5(10)-en-20-yne-3,17-diol, (3-alpha,17-alpha)-
  • 19-norpregn-5(10)-en-20-yne-3,17-diol, (3alpha,17alpha)-
  • 3-alpha-hydroxynorethynodrel
  • 3alpha-hydroxynorethynodrel
CAS Number(s)
  • 21466-08-0
InChIKey XSQAQKNJHGGMRV-KXMHTTHWSA-N
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