.β.-Estradiol Diacetate

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Properties Simple | Detailed

Formula C22H28O4
IUPAC Name [(8r,9s,13s,14s,17s)-17-acetoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] acetate
Molecular Mass 356.455 g·mol−1
Heat of Formation -797.2 ± 16.7 kJ·mol−1
Dipole Moment 2.50 ± 1.08 D
Volume 437.19 Å 3
Surface Area 371.68 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy 0.21 ± eV
Point Group Symmetry C1
Synonyms
  • 17beta-estradiol diacetate
  • 3,17beta-diacetoxyestra-1,3,5(10)-triene
  • [(8r,9s,13s,14s,17s)-3-acetoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate
  • [(8r,9s,13s,14s,17s)-3-acetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate
  • [(8r,9s,13s,14s,17s)-3-acetyloxy-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-acetoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester
  • estra-1,3,5(10)-triene-3,17-diol (17beta)-, diacetate (9ci)
  • estra-1,3,5(10)-triene-3,17beta-diol diacetate
  • estradiol, diacetate (8ci)
  • estradiol-3,17-diacetate
  • estradiol-3,17beta-diacetate
CAS Number(s)
  • 3434-88-6
InChIKey VQHQLBARMFAKSV-AANPDWTMSA-N
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