(3α,5α,17Beta)-3-Hydroxyandrostane-17-Carbonitrile

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Formula C20H31NO
IUPAC Name (3r,5s,8r,9s,10s,13s,14s,17s)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene-17-carbonitrile
Molecular Mass 301.466 g·mol−1
Heat of Formation -317.3 ± 16.7 kJ·mol−1
Dipole Moment 2.49 ± 1.08 D
Volume 399.8 Å 3
Surface Area 314.58 Å 2
HOMO Energy -10.22 ± 0.55 eV
LUMO Energy 1.27 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,5s,8r,9s,10s,13s,14s,17s)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene-17-carbonitrile
  • 3-hydroxy-5-androstane-17-carbonitrile
  • 3-ohacn
  • androstane-17-carbonitrile, 3-hydroxy-, (3alpha,5alpha,17beta)-
CAS Number(s)
  • 51872-53-8
InChIKey DVTDUTYENPZLFP-YBXIWKLVSA-N
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