(2α,3Z,5α,17Beta)-2-Chloro-3-[(4-Nitrophenoxy)Imino]Androstan-17-Yl Acetate

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Formula C25H38ClN2O5
IUPAC Name nitronium [(2r,3z,5s,8r,9s,10s,13s,14s,17s)-2-chloro-10,13-dimethyl-3-[(e)-1-methylprop-1-enoxy]imino-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] acetate
Molecular Mass 482.033 g·mol−1
Heat of Formation -554.5 ± 16.7 kJ·mol−1
Dipole Moment 11.66 ± 1.08 D
Volume 588.02 Å 3
Surface Area 473.37 Å 2
HOMO Energy -9.57 ± 0.55 eV
LUMO Energy 2.01 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3z,5s,8r,9s,10s,13s,14s,17s)-2-chloro-10,13-dimethyl-3-(4-nitrophenoxy)imino-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] acetate
  • [(2r,3z,5s,8r,9s,10s,13s,14s,17s)-2-chloro-10,13-dimethyl-3-(4-nitrophenoxy)imino-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] ethanoate
  • acetic acid [(2r,3z,5s,8r,9s,10s,13s,14s,17s)-2-chloro-10,13-dimethyl-3-(4-nitrophenoxy)imino-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] ester
  • d05174
  • nisterime acetate
  • nisterime acetate (usan)
  • orf-9326
InChIKey NNFGKFKPLQYECP-BYXNGVTISA-N
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