Estra-1,3,5(10)-Triene-3,16β-Diol

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Properties Simple | Detailed

Formula C18H24O2
IUPAC Name (8s,9s,13r,14s,16s)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16-diol
Molecular Mass 272.382 g·mol−1
Heat of Formation -421.8 ± 16.7 kJ·mol−1
Dipole Moment 1.18 ± 1.08 D
Volume 343.28 Å 3
Surface Area 288.72 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy 0.21 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,13r,14s,16s)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16-diol
  • 16.beta.-estradiol
  • 16beta-estradiol
  • intragen
CAS Number(s)
  • 1225-58-7
InChIKey DVMAUGGKVWJBDV-IREHDKGXSA-N
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DOI
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