17-Hydroxy-19-Norpregna-4,9-Dien-20-Yne-3,11-Dione

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Properties Simple | Detailed

Formula C20H22O3
IUPAC Name (8s,13s,14s,17r)-17-ethynyl-17-hydroxy-13-methyl-2,6,7,8,12,14,15,16-octahydro-1h-cyclopenta[a]phenanthrene-3,11-dione
Molecular Mass 310.387 g·mol−1
Heat of Formation -262.0 ± 16.7 kJ·mol−1
Dipole Moment 5.92 ± 1.08 D
Volume 370.1 Å 3
Surface Area 300.07 Å 2
HOMO Energy -9.67 ± 0.55 eV
LUMO Energy 2.12 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,13s,14s,17r)-17-ethynyl-17-hydroxy-13-methyl-2,6,7,8,12,14,15,16-octahydro-1h-cyclopenta[a]phenanthrene-3,11-dione
  • (8s,13s,14s,17r)-17-ethynyl-17-hydroxy-13-methyl-2,6,7,8,12,14,15,16-octahydro-1h-cyclopenta[a]phenanthrene-3,11-quinone
InChIKey WQNPFNJXCLHFCU-FVCZOJIISA-N
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