Etynodiol

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Properties Simple | Detailed

Formula C20H28O2
IUPAC Name (3s,8r,9s,10r,13s,14s,17r)-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1h-cyclopenta[a]phenanthrene-3,17-diol
Molecular Mass 300.435 g·mol−1
Heat of Formation -267.9 ± 16.7 kJ·mol−1
Dipole Moment 1.48 ± 1.08 D
Volume 391.61 Å 3
Surface Area 319.3 Å 2
HOMO Energy -9.55 ± 0.55 eV
LUMO Energy 0.96 ± eV
Point Group Symmetry C1
Synonyms
  • (3-beta,17-alpha)-19-norpregn-4-en-20-yne-3,17-diol
  • (3beta,17beta)-17-ethynylestr-4-ene-3,17-diol
  • (3s,8r,9s,10r,13s,14s,17r)-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1h-cyclopenta[a]phenanthrene-3,17-diol
  • 17-alpha-ethynyl-19-norandrost-4-ene-3-beta,17-beta-diol
  • 17alpha-ethynyl-estra-4-ene-3beta,17beta-diol
  • 19-nor-17-alpha-pregn-4-en-20-yne-3-beta,17-diol
  • 19-norpregn-4-en-20-yne-3,17-diol, (3-beta,17-alpha)- (9ci)
  • aethynodiolum
  • ethinodiol
  • ethynodiol
  • etinodiolo [dcit]
CAS Number(s)
  • 1231-93-2
InChIKey JYILPERKVHXLNF-QMNUTNMBSA-N
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