Estradiol Monobenzoate

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Properties Simple | Detailed

Formula C25H28O3
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] benzoate
Molecular Mass 376.488 g·mol−1
Heat of Formation -469.3 ± 16.7 kJ·mol−1
Dipole Moment 2.29 ± 1.08 D
Volume 463.12 Å 3
Surface Area 383.94 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy 2.44 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3,5(10)-estratriene-3,17beta-diol 17-benzoate
  • 17beta-estradiol benzoate
  • [(8r,9s,13s,14s,17s)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] benzoate
  • benzoic 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
  • estradiol monobenzoate e2b
CAS Number(s)
  • 983-30-2
InChIKey AAGOOGMSOHOVSE-BZDYCCQFSA-N
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