16B-Hydroxyestradiol

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Properties Simple | Detailed

Formula C18H24O3
IUPAC Name (8r,9s,13s,14s,16s,17r)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol
Molecular Mass 288.381 g·mol−1
Heat of Formation -595.4 ± 16.7 kJ·mol−1
Dipole Moment 1.01 ± 1.08 D
Volume 353.27 Å 3
Surface Area 294.23 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy 0.20 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,13s,14s,16s,17r)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol
  • 16-epi-estriol
  • 16-epiestratriol
  • 16-epiestriol
  • 16.beta.,17.beta.-estriol
  • 16.beta.-hydroxyestradiol
  • 3,16.beta.,17.beta.-estriol
  • actriol
  • epiestriol
  • epiestriolo [dcit]
  • epioestriol
  • epioestriolum
  • estra-1,3,5(10)-triene-3,16,17-triol, (16beta,17beta)-
  • estra-1,3,5(10)-triene-3,16.beta.,17.beta.-triol
  • estra-1,3,5(10)-triene-3,16beta,17beta-triol
  • estra-1,3.5(10)-triene-3,16beta,17beta-triol
  • estriol (3,16.beta.,17.beta.)
  • lmst02010006
CAS Number(s)
  • 547-81-9
InChIKey PROQIPRRNZUXQM-ZMSHIADSSA-N
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