N-((17β)-3-Oxoandrost-4-En-17-Yl)Acetamide

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Properties Simple | Detailed

Formula C21H31NO2
IUPAC Name n-[(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]acetamide
Molecular Mass 329.476 g·mol−1
Heat of Formation -503.1 ± 16.7 kJ·mol−1
Dipole Moment 7.92 ± 1.08 D
Volume 425.58 Å 3
Surface Area 340.07 Å 2
HOMO Energy -9.54 ± 0.55 eV
LUMO Energy 0.08 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(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]acetamide
  • n-[(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]ethanamide
  • n-[(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]acetamide
CAS Number(s)
  • 1865-62-9
InChIKey SDLZQPJEYFVSOQ-PXQJOHHUSA-N
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