17β-Estradiol 3-Benzoate

Molecule SVG Image

Properties Simple | Detailed

Formula C25H28O3
IUPAC Name [(8r,9s,13s,14s,17s)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate
Molecular Mass 376.488 g·mol−1
Heat of Formation -442.2 ± 16.7 kJ·mol−1
Dipole Moment 2.93 ± 1.08 D
Volume 458.83 Å 3
Surface Area 390.98 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -0.62 ± eV
Point Group Symmetry C1
Synonyms
  • (17beta)-17-hydroxyestra-1(10),2,4-trien-3-yl benzoate
  • .beta.-estradiol 3-benzoate
  • .beta.-estradiol benzoate
  • 1,3,5(10)-estratriene-3,17.beta.-diol 3-benzoate
  • 1,3,5(10)-estratriene-3,17beta-diol 3-benzoate
  • 17.beta.-estradiol 3-benzoate
  • 17.beta.-estradiol benzoate
  • 17.beta.-estradiol monobenzoate
  • 3,17beta-dihydroxy-1,3,5(10)-estratriene 3-benzoate
  • 3-benzoyloxy-17beta-estrol
  • [(8r,9s,13s,14s,17s)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate
  • benovocylin
  • benzhormovarine
  • benzo-gynoestryl
  • benzoestrofol
  • benzoestrofol difolliculin
  • benzofoline
  • benzogynoestryl
  • benzoic acid [(8r,9s,13s,14s,17s)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] ester
  • beta-estradiol 3-benzoate
  • d01953
  • de graafina
  • diffollisterol
  • difolliculine
  • dihydroestrin benzoate
  • dihydrofolliculin benzoate
  • dimenformon benzoate
  • dimenformone
  • diogyn b
  • ebz
  • eston-b
  • estra-1,3,5(10)-triene-3,17.beta.-diol, 3-benzoate
  • estradiol 3-benzoate
  • estradiol benzoate
  • estradiol benzoate (jp15)
  • estradiol, 3-benzoate
  • estradiol-17.beta. 3-benzoate
  • estradiol-17.beta. benzoate
  • femestrone
  • follicormon
  • follidrin
  • graafina
  • gynecormone
  • gynformone
  • hidroestron
  • hormogynon
  • hydroxyestrin benzoate
  • oestradiol benzoate
  • oestradiol monobenzoate
  • oestroform [bdh]
  • ovahormon benzoate
  • ovasterol-b
  • ovocyclin benzoate
  • ovocyclin m
  • ovocyclin-mb
  • primogyn b
  • primogyn i
  • progynon b
  • progynon benzoate
  • progynon-b
  • recthormone oestradiol
  • solestro
  • unistradiol
CAS Number(s)
  • 50-50-0
InChIKey UYIFTLBWAOGQBI-BZDYCCQFSA-N
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