(15β,16β,17β)-Estra-1,3,5(10)-Triene-3,15,16,17-Tetrol

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Properties Simple | Detailed

Formula C18H24O4
IUPAC Name (8r,9s,13s,14s,15s,16s,17r)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,15,16,17-tetrol
Molecular Mass 304.381 g·mol−1
Heat of Formation -773.8 ± 16.7 kJ·mol−1
Dipole Moment 2.46 ± 1.08 D
Volume 361.62 Å 3
Surface Area 296.43 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy 0.08 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,13s,14s,15s,16s,17r)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,15,16,17-tetrol
  • 1,3,5(10)-estratriene-3,15beta,16beta,17beta-tetrol
CAS Number(s)
  • 58001-91-5
InChIKey AJIPIJNNOJSSQC-VKXCEXFMSA-N
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