(17β)-Androsta-3,5-Diene-3,17-Diyl Diacetate

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Properties Simple | Detailed

Formula C23H32O4
IUPAC Name [(8r,9s,10r,13s,14s,17s)-3-acetoxy-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-17-yl] acetate
Molecular Mass 372.498 g·mol−1
Heat of Formation -832.1 ± 16.7 kJ·mol−1
Dipole Moment 2.17 ± 1.08 D
Volume 468.28 Å 3
Surface Area 380.33 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy 0.29 ± eV
Point Group Symmetry C1
Synonyms
  • [(8r,9s,10r,13s,14s,17s)-3-acetoxy-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-17-yl] acetate
  • [(8r,9s,10r,13s,14s,17s)-3-acetyloxy-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-17-yl] acetate
  • [(8r,9s,10r,13s,14s,17s)-3-acetyloxy-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-17-yl] ethanoate
  • acetic acid [(8r,9s,10r,13s,14s,17s)-3-acetoxy-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-17-yl] ester
  • androsta-3,5-diene-3,17-diol diacetate
  • androsta-3,5-diene-3,17-diol, diacetate, (17beta)-
CAS Number(s)
  • 1778-93-4
InChIKey WDEWKQVZHVQXLN-LLINQDLYSA-N
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