(2-Hydroxyethyl)Trimethylammonium (5beta)-3,7,12-Trioxocholan-24-Oate
[CAS# 4201-78-9]

Identification

• Name: (2-Hydroxyethyl)Trimethylammonium (5beta)-3,7,12-Trioxocholan-24-Oate
• Synonyms: 4-[(9S,14S,17R)-10,13-Dimethyl-3,7,12-Trioxo-1,2,4,5,6,8,9,11,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-17-Yl]Pentanoate; 2-Hydroxyethyl-Trimethyl-Ammonium; 4-[(9S,14S,17R)-10,13-Dimethyl-3,7,12-Trioxo-1,2,4,5,6,8,9,11,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-17-Yl]Pentanoate; 2-Hydroxyethyl-Trimethylammonium; 2-Hydroxyethyl-Trimethyl-Ammonium; 4-[(9S,14S,17R)-3,7,12-Triketo-10,13-Dimethyl-1,2,4,5,6,8,9,11,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-17-Yl]Valerate
• Molecular Formula: C₂₉H₄₇NO₆
• Molecular Weight: 505.69
• CAS Registry Number: 4201-78-9
• EINECS: 224-106-3
• SMILES: [C@@H]14C(C(=O)C[C@H]2C1C(=O)CC3C2(CCC(=O)C3)C)([C@H](CC4)C(CCC([O-])=O)C)C.C([N+](C)(C)C)CO
• InChI: 1S/C24H34O5.C5H14NO/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26;1-6(2,3)4-5-7/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29);7H,4-5H2,1-3H3/q;+1/p-1/t13?,14?,16-,17+,18+,22?,23?,24?;/m1./s1
• InChIKey: GJENXZXAFXDOTP-RKKBMPFMSA-M

Properties

• Boiling point: 581.5°C at 760 mmHg (Cal.)
• Flash point: 319.5°C (Cal.)