Sodium [(2S,3S,6S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-2,3-Disulfonatooxy-17-[(2R)-5,6,6,7-Tetramethyloctan-2-Yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-6-Yl] Sulfate
[CAS# 162232-39-5]

Identification

• Name: Sodium [(2S,3S,6S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-2,3-Disulfonatooxy-17-[(2R)-5,6,6,7-Tetramethyloctan-2-Yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-6-Yl] Sulfate
• Synonyms: 25-(1-Methylethyl)Ergostane-2,3,6-Triol Tris(Hydrogen Sulfate), Trisodium Salt, (2Beta,3Alpha,6Alpha,24Xi)-; Sodium [(2S,3S,6S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(1R)-1,4,5,5,6-Pentamethylheptyl]-2,3-Disulfonatooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-6-Yl] Sulfate; Sodium [(2S,3S,6S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(1R)-1,4,5,5,6-Pentamethylheptyl]-2,3-Disulfato-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-6-Yl] Sulfate
• Molecular Formula: C₃₁H₅₃NaO₁₂S₃
• Molecular Weight: 736.92
• CAS Registry Number: 162232-39-5
• SMILES: [C@H]13[C@@H]([C@@]2(C([C@@H](O[S]([O-])(=O)=O)C1)C[C@H](O[S]([O-])(=O)=O)[C@@H](O[S]([O-])(=O)=O)C2)C)CC[C@]4([C@H]3CC[C@@H]4[C@@H](CCC(C(C(C)C)(C)C)C)C)C.[Na+]
• InChI: 1S/C31H56O12S3.Na/c1-18(2)29(5,6)20(4)10-9-19(3)22-11-12-23-21-15-26(41-44(32,33)34)25-16-27(42-45(35,36)37)28(43-46(38,39)40)17-31(25,8)24(21)13-14-30(22,23)7;/h18-28H,9-17H2,1-8H3,(H,32,33,34)(H,35,36,37)(H,38,39,40);/q;+1/p-3/t19-,20?,21+,22-,23+,24+,25?,26+,27+,28+,30-,31-;/m1./s1
• InChIKey: AWEJMHFFJIHOBO-GMYSSTHYSA-K