Estra-1,3,5(10)-Triene-2,17β-Diol

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Properties Simple | Detailed

Formula C18H24O2
IUPAC Name (8r,9s,13s,14s,17s)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-2,17-diol
Molecular Mass 272.382 g·mol−1
Heat of Formation -414.1 ± 16.7 kJ·mol−1
Dipole Moment 2.88 ± 1.08 D
Volume 343.14 Å 3
Surface Area 288.21 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy 0.22 ± eV
Point Group Symmetry C1
Synonyms
  • (17beta)-estra-1,3,5(10)-triene-2,17-diol
  • (8r,9s,13s,14s,17s)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-2,17-diol
  • 2-hydroxy-3-deoxyestradiol
CAS Number(s)
  • 2259-89-4
InChIKey YEOSPIFUAAHCPK-YFUQURRKSA-N
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