N-epsilon-Lithocholyllysine
[CAS# 65236-49-9]

Identification

• Name: N-epsilon-Lithocholyllysine
• Synonyms: (2S)-2-Amino-6-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-Hydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-1-Oxopentyl]Amino]Hexanoic Acid; L-Lysine, N6-((3Alpha,5Beta)-3-Hydroxy-24-Oxocholan-24-Yl)-; Lithocholyl-Epsilon-L-Lysine
• Molecular Formula: C₃₀H₅₂N₂O₄
• Molecular Weight: 504.75
• CAS Registry Number: 65236-49-9
• SMILES: [C@]24([C@H]([C@@H]1CC[C@H]3[C@@]([C@H]1CC2)(CC[C@@H](O)C3)C)CC[C@@H]4[C@@H](CCC(=O)NCCCC[C@@H](C(=O)O)N)C)C
• InChI: 1S/C30H52N2O4/c1-19(7-12-27(34)32-17-5-4-6-26(31)28(35)36)23-10-11-24-22-9-8-20-18-21(33)13-15-29(20,2)25(22)14-16-30(23,24)3/h19-26,33H,4-18,31H2,1-3H3,(H,32,34)(H,35,36)/t19-,20-,21-,22+,23-,24+,25+,26+,29+,30-/m1/s1
• InChIKey: SOAQBBCJNVBHNR-FGUUPDTHSA-N

Properties

• Density: 1.097g/cm³ (Cal.)
• Boiling point: 685.625°C at 760 mmHg (Cal.)
• Flash point: 368.453°C (Cal.)