(17β)-4-Methoxyestra-1,3,5(10)-Triene-3,17-Diol

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Formula C19H26O3
IUPAC Name (8r,9s,13s,14s,17s)-4-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Molecular Mass 302.408 g·mol−1
Heat of Formation -562.0 ± 16.7 kJ·mol−1
Dipole Moment 1.30 ± 1.08 D
Volume 373.6 Å 3
Surface Area 312.12 Å 2
HOMO Energy -8.44 ± 0.55 eV
LUMO Energy 0.30 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,13s,14s,17s)-4-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
  • 4-methoxyestradiol
  • 4-methoxyestradiol-17beta
CAS Number(s)
  • 26788-23-8
InChIKey BCWZIZLVBYHFES-PYEWSWHRSA-N
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