• 
  [Synonyms]
  NSC17091
  14546-23-7
  
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	413.72194 [g/mol]
  Molecular Formula	C29H51N
  XLogP	8.8
  H-Bond Donor	0
  H-Bond Acceptor	1
  Rotatable Bond Count	6
  Exact Mass	413.402151
  MonoIsotopic Mass	413.402151
  Topological Polar Surface Area	3.2
  Heavy Atom Count	30
  Formal Charge	0
  Complexity	632
  Isotope Atom Count	0
  Defined Atom StereoCenter Count	8
  Undefined Atom StereoCenter Count	0
  Defined Bond StereoCenter Count	0
  Undefined Bond StereoCenter Count	0
  Covalently-Bonded Unit Count	1

  
  [ Descriptors Computed from Structure]
  IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-N,N,10,
  13-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,
  17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine
  Canonical SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)N(C)C)C)C
  Isomeric SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@
  H](C4)N(C)C)C)C
  InChI: InChI=1/C29H51N/c1-20(2)9-8-10-21(3)25-13-14-26-24-12-11-22-19-23(30(6)
  7)15-17-28(22,4)27(24)16-18-29(25,26)5/h11,20-21,23-27H,8-10,12-19H2,
  1-7H3/t21-,23+,24+,25-,26+,27+,28+,29-/m1/s1