3-Hydroxyestra-1,3,5(10)-Triene-11,17-Dione

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Formula C18H20O3
IUPAC Name (8s,9s,13s,14s)-3-hydroxy-13-methyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-11,17-dione
Molecular Mass 284.350 g·mol−1
Heat of Formation -496.8 ± 16.7 kJ·mol−1
Dipole Moment 3.55 ± 1.08 D
Volume 342.58 Å 3
Surface Area 287.66 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy 0.17 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,13s,14s)-3-hydroxy-13-methyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-11,17-dione
  • (8s,9s,13s,14s)-3-hydroxy-13-methyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-11,17-quinone
  • 3-hydroxy-9 beta-estra-1,3,5(10)-triene-11,17-dione
  • estra-1,3,5(10)-triene-11,17-dione, 3-hydroxy-, (9 beta)-
CAS Number(s)
  • 7533-97-3
InChIKey WKUQOYYYFVBROI-ZZCKCESHSA-N
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