(17β)-Estra-1,3,5(10)-Triene-3,14,17-Triol

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Properties Simple | Detailed

Formula C18H24O3
IUPAC Name (8r,9s,13r,14r,17s)-13-methyl-7,8,9,11,12,15,16,17-octahydro-6h-cyclopenta[a]phenanthrene-3,14,17-triol
Molecular Mass 288.381 g·mol−1
Heat of Formation -608.0 ± 16.7 kJ·mol−1
Dipole Moment 2.21 ± 1.08 D
Volume 352.36 Å 3
Surface Area 290.11 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy 0.10 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,13r,14r,17s)-13-methyl-7,8,9,11,12,15,16,17-octahydro-6h-cyclopenta[a]phenanthrene-3,14,17-triol
  • 14-hydroxyestradiol
  • estra-1,3,5(10)-triene-3,14,17-triol, (17beta)-
CAS Number(s)
  • 16288-09-8
InChIKey RNAMCOMPBVHJSV-UYTYNIKBSA-N
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