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

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Formula C25H45ClN2O5+
IUPAC Name [(2r,3e,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
Molecular Mass 489.088 g·mol−1
Heat of Formation -554.0 ± 16.7 kJ·mol−1
Dipole Moment 11.89 ± 1.08 D
Volume 589.69 Å 3
Surface Area 476.36 Å 2
HOMO Energy -9.66 ± 0.55 eV
LUMO Energy 1.97 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3e,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,3e,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
InChIKey NNFGKFKPLQYECP-JTSDWKJBSA-N
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Elements H C N O Cl