Magnesium Bis[3,7,12-Trioxo-5beta-Cholan-24-Oate]
[CAS# 7786-84-7]

Identification

• Name: Magnesium Bis[3,7,12-Trioxo-5beta-Cholan-24-Oate]
• Synonyms: Magnesium (4R)-4-[(5S,8R,9S,10S,13R,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; Magnesium Bis(3,7,12-Trioxo-5Beta-Cholan-24-Oate)
• Molecular Formula: C₄₈H₆₆MgO₁₀
• Molecular Weight: 827.35
• CAS Registry Number: 7786-84-7
• EINECS: 232-105-4
• SMILES: [C@H]23[C@H]1[C@@]([C@H](CC1)[C@@H](CCC([O-])=O)C)(C(=O)C[C@@H]2[C@@]4([C@H](CC3=O)CC(=O)CC4)C)C.[C@H]67[C@H]5[C@@]([C@H](CC5)[C@@H](CCC([O-])=O)C)(C(=O)C[C@@H]6[C@@]8([C@H](CC7=O)CC(=O)CC8)C)C.[Mg++]
• InChI: 1S/2C24H34O5.Mg/c2*1-13(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;/h2*13-14,16-18,22H,4-12H2,1-3H3,(H,28,29);/q;;+2/p-2/t2*13-,14+,16-,17+,18+,22+,23+,24-;/m11./s1
• InChIKey: JKWGGYRLJAHBMT-IOTIMKOBSA-L

Properties

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