(16α,17Beta)-2-Methoxyestra-1(10),2,4-Triene-3,16,17-Triol

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Properties Simple | Detailed

Formula C19H26O4
IUPAC Name (8r,9s,13s,14s,16r,17r)-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol
Molecular Mass 318.407 g·mol−1
Heat of Formation -749.0 ± 16.7 kJ·mol−1
Dipole Moment 2.83 ± 1.08 D
Volume 389.61 Å 3
Surface Area 324.47 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy 0.05 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,13s,14s,16r,17r)-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol
  • 2-meoe3
  • 2-methoxyestriol
  • estra-1,3,5(10)-triene-3,16,17-triol, 2-methoxy-, (16alpha,17beta)-
CAS Number(s)
  • 1236-72-2
  • 23020-70-4
  • 31263-36-2
InChIKey PEXPJFWTSZLEAQ-YSYMNNNUSA-N
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