(16α,17Beta)-Estra-1,3,5(10)-Triene-3,4,16,17-Tetrol

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Properties Simple | Detailed

Formula C18H24O4
IUPAC Name (8r,9s,13s,14s,16r,17r)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,4,16,17-tetrol
Molecular Mass 304.381 g·mol−1
Heat of Formation -774.1 ± 16.7 kJ·mol−1
Dipole Moment 2.47 ± 1.08 D
Volume 366.58 Å 3
Surface Area 303.83 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy 0.11 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,13s,14s,16r,17r)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,4,16,17-tetrol
  • 4-hydroxyestriol
  • estra-1,3,5(10)-triene-3,4,16,17-tetrol, (16alpha,17beta)-
CAS Number(s)
  • 60021-32-1
InChIKey KKXSCWWODCABHQ-OZPBLJIJSA-N
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