(11α,17α)-11-Methoxy-19-Norpregna-1,3,5(10)-Trien-20-Yne-3,17-Diol

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Formula C21H26O3
IUPAC Name (8s,9s,11r,13s,14s,17r)-17-ethynyl-11-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-3,17-diol
Molecular Mass 326.429 g·mol−1
Heat of Formation -321.1 ± 16.7 kJ·mol−1
Dipole Moment 1.74 ± 1.08 D
Volume 368.46 Å 3
Surface Area 291.78 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy 0.31 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,11r,13s,14s,17r)-17-ethynyl-11-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-3,17-diol
  • 11-alpha-methoxy-19-nor-17-alpha-1,3,5(10)-pregnatrien-20-yne-3,17-diol
  • 11-alpha-methoxyethinylestradiol
  • 19-norpregna-1,3,5(10)-trien-20-yne-3,17-diol, 11-methoxy-, (11-alpha,17-alpha)-
  • ru 16117
CAS Number(s)
  • 61665-15-4
InChIKey MTMZZIPTQITGCY-QHOCJJNXSA-N
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