Lithium 3,7,12-Trioxo-5beta-Cholan-24-Oate
[CAS# 94107-86-5]

Identification

• Name: Lithium 3,7,12-Trioxo-5beta-Cholan-24-Oate
• Synonyms: (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]Valeric Acid; Didrocolo; Dilabil
• Molecular Formula: C₂₄H₃₄O₅
• Molecular Weight: 402.53
• CAS Registry Number: 94107-86-5
• EINECS: 302-323-5
• SMILES: [C@H]24[C@H]1[C@@]([C@@H]([C@@H](CCC(O)=O)C)CC1)(C(=O)C[C@@H]2[C@@]3([C@@H](CC(=O)CC3)CC4=O)C)C
• InChI: 1S/C24H34O5/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/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29)/t13-,14+,16-,17+,18+,22+,23+,24-/m1/s1
• InChIKey: OHXPGWPVLFPUSM-KLRNGDHRSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Melting point: 237°C (Expl.)
• Boiling point: 581.5±50.0°C at 760 mmHg (Cal.)
• Flash point: 319.5±26.6°C (Cal.)

Safety Data

• Safety Description: CAUTION: May irritate eyes, skin, and respiratory tract

References

• (1): Zhen Wu, Xiaobin Hu, Cheng-an Tao, Yan Li, Jian Liu, Chengdui Yang, Dezhong Shen and Guangtao Li. Direct and label-free detection ofcholic acid based on molecularly imprinted photonic hydrogels, J. Mater. Chem., 2008, 18, 5452.