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

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Properties Simple | Detailed

Formula C20H24O2
IUPAC Name (8r,9s,13s,14s,17s)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-3,17-diol
Molecular Mass 296.403 g·mol−1
Heat of Formation -168.4 ± 16.7 kJ·mol−1
Dipole Moment 3.31 ± 1.08 D
Volume 333.84 Å 3
Surface Area 265.67 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy 0.15 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,13s,14s,17s)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-3,17-diol
CAS Number(s)
  • 4717-38-8
InChIKey BFPYWIDHMRZLRN-SWBPCFCJSA-N
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Elements H C O