Estradiol 17β-Acetate

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Properties Simple | Detailed

Formula C20H26O3
IUPAC Name [(8r,9s,13s,14s,17s)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate
Molecular Mass 314.419 g·mol−1
Heat of Formation -617.0 ± 16.7 kJ·mol−1
Dipole Moment 2.06 ± 1.08 D
Volume 393.9 Å 3
Surface Area 330.53 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy 0.19 ± eV
Point Group Symmetry C1
Synonyms
  • 17beta-acetylestradiol
  • 17beta-estradiol 17-acetate
  • [(8r,9s,13s,14s,17s)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate
  • [(8r,9s,13s,14s,17s)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ethanoate
  • acetic acid [(8r,9s,13s,14s,17s)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester
  • estra-1,3,5(10)-triene-3,17beta-diol 17-acetate
InChIKey QAHOQNJVHDHYRN-SLHNCBLASA-N
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