(16α)-Estra-1,3,5(10)-Triene-3,16-Diol

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Formula C18H24O2
IUPAC Name (8s,9s,13r,14s,16r)-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 -431.3 ± 16.7 kJ·mol−1
Dipole Moment 1.09 ± 1.08 D
Volume 345.07 Å 3
Surface Area 289.88 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy 0.17 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,13r,14s,16r)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16-diol
  • estra-1,3,5(10)-triene-3,16-diol, (16.alpha.)-
  • estra-1,3,5(10)-triene-3,16-diol, (16alpha)- (9ci)
  • estradiol-16
  • estradiol-16alpha
  • estradiol-16beta
CAS Number(s)
  • 1090-04-6
InChIKey DVMAUGGKVWJBDV-FXXCCUJSSA-N
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