• 
  [Synonyms]
  NSC79094
  27261-27-4
  
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	308.45558 [g/mol]
  Molecular Formula	C19H32O3
  XLogP	4.3
  H-Bond Donor	3
  H-Bond Acceptor	3
  Rotatable Bond Count	0
  Exact Mass	308.235145
  MonoIsotopic Mass	308.235145
  Topological Polar Surface Area	60.7
  Heavy Atom Count	22
  Formal Charge	0
  Complexity	452
  Isotope Atom Count	0
  Defined Atom StereoCenter Count	9
  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,5S,8R,9S,10S,13S,14S,16S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,
  14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,16,17-triol
  Canonical SMILES: CC12CCC(CC1CCC3C2CCC4(C3CC(C4O)O)C)O
  Isomeric SMILES: C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@@H]([C@@H]4O)
  O)C)O
  InChI: InChI=1/C19H32O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-
  16(21)17(19)22/h11-17,20-22H,3-10H2,1-2H3/t11-,12-,13+,14-,15-,16-,17-,
  18-,19-/m0/s1