Hexadecyltributylammonium taurocholate
[CAS# 124536-25-0]

Identification

• Name: Hexadecyltributylammonium taurocholate
• Synonyms: Tributyl-Hexadecyl-Ammonium; 2-[[(4R)-4-[(3R,5S,7R,10S,12S,13R,17R)-3,7,12-Trihydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Pentanoyl]Amino]Ethanesulfonate; 2-[[(4R)-1-Oxo-4-[(3R,5S,7R,10S,12S,13R,17R)-3,7,12-Trihydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Pentyl]Amino]Ethanesulfonate; Tributyl-Hexadecylammonium; Tributyl-Cetyl-Ammonium; 2-[[(4R)-4-[(3R,5S,7R,10S,12S,13R,17R)-3,7,12-Trihydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Pentanoyl]Amino]Ethanesulfonate
• Molecular Formula: C₅₄H₁₀₄N₂O₇S
• Molecular Weight: 925.48
• CAS Registry Number: 124536-25-0
• SMILES: [C@]34(C(C1C([C@@]2([C@H](C[C@H]1O)C[C@H](O)CC2)C)C[C@@H]3O)CC[C@@H]4[C@@H](CCC(=O)NCC[S]([O-])(=O)=O)C)C.C([N+](CCCC)(CCCC)CCCC)CCCCCCCCCCCCCCC
• InChI: 1S/C28H60N.C26H45NO7S/c1-5-9-13-14-15-16-17-18-19-20-21-22-23-24-28-29(25-10-6-2,26-11-7-3)27-12-8-4;1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h5-28H2,1-4H3;15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/q+1;/p-1/t;15-,16+,17-,18-,19?,20?,21-,22+,24?,25+,26-/m.1/s1
• InChIKey: ATHZSOZTMLMHPH-OZIDYUHGSA-M