16-Methyleneestra-1,3,5(10)-Triene-3,17β-Diol

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Properties Simple | Detailed

Formula C19H24O2
IUPAC Name (8r,9s,13s,14s,17s)-13-methyl-16-methylene-7,8,9,11,12,14,15,17-octahydro-6h-cyclopenta[a]phenanthrene-3,17-diol
Molecular Mass 284.393 g·mol−1
Heat of Formation -344.4 ± 16.7 kJ·mol−1
Dipole Moment 0.91 ± 1.08 D
Volume 360.09 Å 3
Surface Area 300.3 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy 0.16 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,13s,14s,17s)-13-methyl-16-methylene-7,8,9,11,12,14,15,17-octahydro-6h-cyclopenta[a]phenanthrene-3,17-diol
  • (8r,9s,13s,14s,17s)-13-methyl-16-methylidene-7,8,9,11,12,14,15,17-octahydro-6h-cyclopenta[a]phenanthrene-3,17-diol
  • 16-methylene estradiol
  • 16-methylene-estradiol
  • estra-1,3,5(10)-triene-3,17-diol, 16-methylene-, (17beta)-
CAS Number(s)
  • 7627-87-4
InChIKey DJEKMVJLSAUQAO-GFEQUFNTSA-N
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