4-Hydroxy-Estradiol

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Properties Simple | Detailed

Formula C18H24O3
IUPAC Name (8r,9s,13s,14s,17s)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,4,17-triol
Molecular Mass 288.381 g·mol−1
Heat of Formation -590.1 ± 16.7 kJ·mol−1
Dipole Moment 1.28 ± 1.08 D
Volume 353.84 Å 3
Surface Area 295.11 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy 0.19 ± eV
Point Group Symmetry C1
Synonyms
  • (17beta)-estra-1,3,5(10)-triene-3,4,17-triol
  • (8r,9s,13s,14s,17s)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,4,17-triol
  • 1,3,5(10)-estratriene-3,4,17beta-triol
  • 1,3,5[10]-estratriene-3,4,17beta-triol
  • 4-hydroxyestradiol
  • 4-hydroxyestradiol-17 beta
  • estra-1,3,5(10)-triene-2,4,17beta-triol
  • lmst02010028
CAS Number(s)
  • 5976-61-4
InChIKey QOZFCKXEVSGWGS-ZHIYBZGJSA-N
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