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

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Properties Simple | Detailed

Formula C19H26O2
IUPAC Name (8r,9s,13s,14s,17s)-13,17-dimethyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-3,17-diol
Molecular Mass 286.409 g·mol−1
Heat of Formation -451.5 ± 16.7 kJ·mol−1
Dipole Moment 2.16 ± 1.08 D
Volume 364.84 Å 3
Surface Area 300.44 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy 0.24 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,13s,14s,17s)-13,17-dimethyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-3,17-diol
  • 17-alpha-methyloestradiol-17-beta
  • 17-methylestradiol
  • 17.alpha.-methylestradiol
  • 17alpha-methylestradiol
  • estra-1,3,5(10)-triene-3,17-diol, 17-methyl-, (17.beta.)-
  • estra-1,3,5(10)-triene-3,17-diol, 17-methyl-, (17beta)- (9ci)
  • estra-1,3,5(10)-triene-3,17.beta.-diol, 17-methyl-
  • estra-1,3,5(10)-triene-3,17beta-diol, 17-methyl- (8ci)
  • methylestradiol
CAS Number(s)
  • 302-76-1
InChIKey JXQJDYXWHSVOEF-GFEQUFNTSA-N
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