• 
  [Synonyms]
  NSC9736
  NSC23446
  74263-44-8
  
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	348.47638 [g/mol]
  Molecular Formula	C21H32O4
  XLogP	2
  H-Bond Donor	2
  H-Bond Acceptor	4
  Rotatable Bond Count	1
  Tautomer Count	6
  Exact Mass	348.23006
  MonoIsotopic Mass	348.23006
  Topological Polar Surface Area	74.6
  Heavy Atom Count	25
  Formal Charge	0
  Complexity	615
  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: (5R,8S,9S,10S,11S,13S,14S,17R)-17-acetyl-11,17-dihydroxy-10,
  13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,
  16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
  Canonical SMILES: CC(=O)C1(CCC2C1(CC(C3C2CCC4C3(CCC(=O)C4)C)O)C)O
  Isomeric SMILES: CC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)
  C4)C)O)C)O
  InChI: InChI=1/C21H32O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,
  2)18(15)17(24)11-20(16,21)3/h13,15-18,24-25H,4-11H2,1-3H3/t13-,15+,16+,
  17+,18-,19+,20+,21+/m1/s1