(17β)-17-Hydroxyestra-1,5(10)-Diene-3,4-Dione

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Formula C18H22O3
IUPAC Name (8r,9s,13s,14s,17s)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,4-dione
Molecular Mass 286.365 g·mol−1
Heat of Formation -444.4 ± 16.7 kJ·mol−1
Dipole Moment 3.78 ± 1.08 D
Volume 350.19 Å 3
Surface Area 290.97 Å 2
HOMO Energy -9.66 ± 0.55 eV
LUMO Energy -1.57 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,13s,14s,17s)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,4-dione
  • (8r,9s,13s,14s,17s)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,4-quinone
  • estradiol-3,4-quinone
CAS Number(s)
  • 144082-88-2
InChIKey XVPUMLOTNZVTSL-ZHIYBZGJSA-N
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