• 
  [Synonyms]
  
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	709.90856 [g/mol]
  Molecular Formula	C31H49O12S3-3
  H-Bond Donor	0
  H-Bond Acceptor	12
  Rotatable Bond Count	8
  Exact Mass	709.238614
  MonoIsotopic Mass	709.238614
  Topological Polar Surface Area	199
  Heavy Atom Count	46
  Formal Charge	-3
  Complexity	1500
  Isotope Atom Count	0
  Defined Atom StereoCenter Count	0
  Undefined Atom StereoCenter Count	12
  Defined Bond StereoCenter Count	0
  Undefined Bond StereoCenter Count	0
  Covalently-Bonded Unit Count	1

  
  [ Descriptors Computed from Structure]
  IUPAC Name: [10,13,
  14-trimethyl-17-[4-(2-methyl-1-propan-2-ylcyclopropyl)butan-2-yl]-2,
  3-disulfonatooxy-1,2,3,4,5,6,7,8,12,15,16,
  17-dodecahydrocyclopenta[a]phenanthren-6-yl] sulfate
  Canonical SMILES: CC1CC1(CCC(C)C2CCC3(C2(CC=C4C3CC(C5C4(CC(C(C5)OS(=O)(=O)[O-])OS(=O)(=O)
  [O-])C)OS(=O)(=O)[O-])C)C)C(C)C
  InChI: InChI=1/C31H52O12S3/c1-18(2)31(16-20(31)4)13-8-19(3)21-9-11-30(7)23-14-
  25(41-44(32,33)34)24-15-26(42-45(35,36)37)27(43-46(38,39)40)17-28(24,
  5)22(23)10-12-29(21,30)6/h10,18-21,23-27H,8-9,11-17H2,1-7H3,(H,32,33,
  34)(H,35,36,37)(H,38,39,40)/p-3/fC31H49O12S3/q-3