Estra-1,3,5(10)-Triene-2,3,16α,17Beta-Tetrol

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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-2,3,16,17-tetrol
Molecular Mass 304.381 g·mol−1
Heat of Formation -774.0 ± 16.7 kJ·mol−1
Dipole Moment 1.85 ± 1.08 D
Volume 366.24 Å 3
Surface Area 305.66 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy 0.05 ± 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-2,3,16,17-tetrol
  • 1,3,5(10)-estratriene-2,3,16alpha,17beta-tetrol
  • 2,3,16alpha,17beta-tetrahydroxy-1,3,5(10)-estratriene
InChIKey ZUGCDOZAVASBQT-SLVREZFOSA-N
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