Epimestrol

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Properties Simple | Detailed

Formula C19H26O3
IUPAC Name (8r,9s,13s,14s,16r,17s)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-16,17-diol
Molecular Mass 302.408 g·mol−1
Heat of Formation -579.4 ± 16.7 kJ·mol−1
Dipole Moment 3.43 ± 1.08 D
Volume 372.9 Å 3
Surface Area 313.3 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy 0.25 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,13s,14s,16r,17s)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-16,17-diol
  • 3-methoxy-17-epiestriol
  • 3-methoxyestra-1,3,5(10)-triene-16.alpha.,17.alpha.-diol
  • d04021
  • epimestrol (usan)
  • estra-1,3,5(10)-triene-16,17-diol, 3-methoxy-, (16.alpha.,17.alpha.)-
  • estra-1,3,5(10)-triene-16.alpha.,17.alpha.-diol, 3-methoxy-
CAS Number(s)
  • 7004-98-0
InChIKey UHQGCIIQUZBJAE-RRQVMCLOSA-N
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