(17β)-3-Oxoandrosta-1,4-Dien-17-Yl Acetate

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Properties Simple | Detailed

Formula C21H28O3
IUPAC Name [(8r,9s,10r,13s,14s,17s)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate
Molecular Mass 328.445 g·mol−1
Heat of Formation -573.5 ± 16.7 kJ·mol−1
Dipole Moment 6.12 ± 1.08 D
Volume 415.42 Å 3
Surface Area 333.93 Å 2
HOMO Energy -9.80 ± 0.55 eV
LUMO Energy -0.41 ± eV
Point Group Symmetry C1
Synonyms
  • (17beta)-hydroxyandrosta-1,4-dien-3-one acetate
  • 17beta-acetoxy-delta-(1,5)-androstadien-3-one
  • [(8r,9s,10r,13s,14s,17s)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate
  • [(8r,9s,10r,13s,14s,17s)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ethanoate
  • acetic acid [(8r,9s,10r,13s,14s,17s)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester
  • acetic acid [(8r,9s,10r,13s,14s,17s)-3-keto-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester
CAS Number(s)
  • 2363-59-9
InChIKey KPCDGGNHYODURF-PXQJOHHUSA-N
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