Cholyltetraglycylhistamine
[CAS 98584-70-4]

Identification

• Name: Cholyltetraglycylhistamine
• Synonyms: (4R)-N-[2-[[2-[[2-[[2-[2-(3H-Imidazol-4-Yl)Ethylamino]-2-Oxo-Ethyl]Amino]-2-Oxo-Ethyl]Amino]-2-Oxo-Ethyl]Amino]-2-Oxo-Ethyl]-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-Trihydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclo
• Molecular Formula: C₃₇H₅₉N₇O₈
• Molecular Weight: 729.92
• CAS Registry Number: 98584-70-4
• SMILES: [C@H]1(CC[C@]2([C@@H](C1)C[C@H]([C@@H]3[C@@H]2C[C@@H]([C@]4([C@H]3CC[C@@H]4[C@@H](CCC(NCC(NCC(NCC(NCC(=O)NCCC5=CN=C[NH]5)=O)=O)=O)=O)C)C)O)O)C)O
• InChI: 1S/C37H59N7O8/c1-21(25-5-6-26-35-27(14-29(47)37(25,26)3)36(2)10-8-24(45)12-22(36)13-28(35)46)4-7-30(48)40-17-32(50)42-19-34(52)43-18-33(51)41-16-31(49)39-11-9-23-15-38-20-44-23/h15,20-22,24-29,35,45-47H,4-14,16-19H2,1-3H3,(H,38,44)(H,39,49)(H,40,48)(H,41,
• InChIKey: BLDKLXOVVLBBIN-KZAFNTRISA-N

Properties

• Density: 1.265g/cm³ (Cal.)
• Boiling point: 1140.13°C at 760 mmHg (Cal.)
• Flash point: 643.328°C (Cal.)