16-Ketoestradiol

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Properties Simple | Detailed

Formula C18H22O3
IUPAC Name (8r,9s,13s,14s,17r)-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,17-octahydro-6h-cyclopenta[a]phenanthren-16-one
Molecular Mass 286.365 g·mol−1
Heat of Formation -536.9 ± 16.7 kJ·mol−1
Dipole Moment 2.63 ± 1.08 D
Volume 347.57 Å 3
Surface Area 291.46 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy 0.05 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,13s,14s,17r)-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,17-octahydro-6h-cyclopenta[a]phenanthren-16-one
  • 16-oxo-17beta-estradiol
  • 16-oxoestradiol
  • estra-1,3,5(10)-trien-16-one, 3,17-dihydroxy-, (17.beta.)-
  • estra-1,3,5(10)-trien-16-one, 3,17-dihydroxy-, (17beta)- (9ci)
  • estra-1,3,5(10)-triene-3beta,17beta-diol-16-one
CAS Number(s)
  • 566-75-6
InChIKey KJDGFQJCHFJTRH-YONAWACDSA-N
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