(3Ar,3Bs,5As,6S,8As,8Br,10Ar)-2-Cyano-3A,5A-Dimethylhexadecahydroindeno[5,4-E]Isoindol-6-Yl Acetate

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Formula C20H30N2O2
IUPAC Name [(3ar,3bs,5as,6s,8as,8br,10ar)-2-cyano-3a,5a-dimethyl-3,3b,4,5,6,7,8,8a,8b,9,10,10a-dodecahydro-1h-indeno[5,4-e]isoindol-6-yl] acetate
Molecular Mass 330.464 g·mol−1
Heat of Formation -383.3 ± 16.7 kJ·mol−1
Dipole Moment 6.26 ± 1.08 D
Volume 427.61 Å 3
Surface Area 343.18 Å 2
HOMO Energy -9.72 ± 0.55 eV
LUMO Energy 1.08 ± eV
Point Group Symmetry C1
Synonyms
  • 2-aza-a-norandrostane-2-carbonitrile, 17-(acetyloxy)-, (5alpha,17beta)-
  • n-cyano-2-aza-a-nor-5alpha-androstan-17beta-ol acetate
  • n-cyano-2-aza-a-norandrostan-17-ol acetate
CAS Number(s)
  • 68922-89-4
InChIKey LJZPRPPBYVQIIF-RBZZARIASA-N
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