[10,13-dimethyl-2,3-disulfonatooxy-17-(5,6,6-trimethyloctan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl] sulfate

Systemtic Name: [10,13-dimethyl-2,3-disulfonatooxy-17-(5,6,6-trimethyloctan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl] sulfate Openeye Name: [10,13-dimethyl-2,3-disulfonatooxy-17-(1,4,5,5-tetramethylheptyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl] sulfate CAS Name: [10,13-dimethyl-2,3-disulfonatooxy-17-(5,6,6-trimethyloctan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl] sulfate IUPAC Name: [10,13-dimethyl-2,3-disulfonatooxy-17-(5,6,6-trimethyloctan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl] sulfate Traditional Name: [10,13-dimethyl-2,3-disulfato-17-(1,4,5,5-tetramethylheptyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl] sulfate Formula: C30H51O12S3-3 MolecularWeight: 699.91374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC(C4C3(CC(C(C4)OS(=O)(=O)[O-])OS(=O)(=O)[O-])C)OS(=O)(=O)[O-])C

Isomeric SMILES

CCC(C)(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC(C4C3(CC(C(C4)OS(=O)(=O)[O-])OS(=O)(=O)[O-])C)OS(=O)(=O)[O-])C

InChI

InChI=1S/C30H54O12S3/c1-8-28(4,5)19(3)10-9-18(2)21-11-12-22-20-15-25(40-43(31,32)33)24-16-26(41-44(34,35)36)27(42-45(37,38)39)17-30(24,7)23(20)13-14-29(21,22)6/h18-27H,8-17H2,1-7H3,(H,31,32,33)(H,34,35,36)(H,37,38,39)/p-3