(17β)-17-Hydroxyestra-1(10),4-Diene-2,3-Dione

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Properties Simple | Detailed

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-2,3-dione
Molecular Mass 286.365 g·mol−1
Heat of Formation -432.4 ± 16.7 kJ·mol−1
Dipole Moment 7.98 ± 1.08 D
Volume 350.9 Å 3
Surface Area 292.63 Å 2
HOMO Energy -9.63 ± 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-2,3-dione
  • (8r,9s,13s,14s,17s)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-2,3-quinone
  • ecs
  • estra-1(10),4-diene-2,3-dione, 17-hydroxy-, (17beta)-
  • estradiol-2,3-o-quinone
  • estradiol-2,3-quinone
CAS Number(s)
  • 42261-16-5
InChIKey LBSRSXWOMYPVBY-XSSYPUMDSA-N
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