(5α,17Beta)-2-Methyl-3-Oxoandrost-1-En-17-Yl Acetate

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Properties Simple | Detailed

Formula C22H32O3
IUPAC Name [(5s,8r,9s,10s,13s,14s,17s)-2,10,13-trimethyl-3-oxo-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
Molecular Mass 344.488 g·mol−1
Heat of Formation -699.2 ± 16.7 kJ·mol−1
Dipole Moment 3.79 ± 1.08 D
Volume 444.26 Å 3
Surface Area 355.45 Å 2
HOMO Energy -9.84 ± 0.55 eV
LUMO Energy -0.01 ± eV
Point Group Symmetry C1
Synonyms
  • [(5s,8r,9s,10s,13s,14s,17s)-2,10,13-trimethyl-3-oxo-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
  • [(5s,8r,9s,10s,13s,14s,17s)-2,10,13-trimethyl-3-oxo-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] ethanoate
  • acetic acid [(5s,8r,9s,10s,13s,14s,17s)-2,10,13-trimethyl-3-oxo-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] ester
  • acetic acid [(5s,8r,9s,10s,13s,14s,17s)-3-keto-2,10,13-trimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] ester
  • d05925
InChIKey FYTLCZSXKONUTF-OIELIUQCSA-N
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