(17β)-3-Oxoandrost-4-En-17-Yl 2-Methylpropanoate

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Properties Simple | Detailed

Formula C23H34O3
IUPAC Name [(8r,9s,10r,13s,14s,17s)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 2-methylpropanoate
Molecular Mass 358.514 g·mol−1
Heat of Formation -724.2 ± 16.7 kJ·mol−1
Dipole Moment 5.61 ± 1.08 D
Volume 467.84 Å 3
Surface Area 373.72 Å 2
HOMO Energy -9.75 ± 0.55 eV
LUMO Energy 0.03 ± eV
Point Group Symmetry C1
Synonyms
  • 2-methylpropanoic acid [(8r,9s,10r,13s,14s,17s)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] ester
  • 2-methylpropionic acid [(8r,9s,10r,13s,14s,17s)-3-keto-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] ester
  • [(8r,9s,10r,13s,14s,17s)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 2-methylpropanoate
  • testosterone isobutyrate
CAS Number(s)
  • 1169-49-9
InChIKey PYHZLMFTKOTWGQ-WAUHAFJUSA-N
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