Cholylsarcosine
[CAS# 93790-70-6]

Identification

• Name: Cholylsarcosine
• Synonyms: 2-[Methyl-[(4R)-1-Oxo-4-[(3R,5S,7R,10S,12S,13R,17R)-3,7,12-Trihydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Pentyl]Amino]Acetic Acid; 2-[Methyl-[(4R)-4-[(3R,5S,7R,10S,12S,13R,17R)-3,7,12-Trihydrox
• Molecular Formula: C₂₇H₄₅NO₆
• Molecular Weight: 479.66
• CAS Registry Number: 93790-70-6
• SMILES: [C@]34(C(C1C([C@@]2([C@H](C[C@H]1O)C[C@H](O)CC2)C)C[C@@H]3O)CC[C@@H]4[C@@H](CCC(=O)N(CC(=O)O)C)C)C
• InChI: 1S/C27H45NO6/c1-15(5-8-23(32)28(4)14-24(33)34)18-6-7-19-25-20(13-22(31)27(18,19)3)26(2)10-9-17(29)11-16(26)12-21(25)30/h15-22,25,29-31H,5-14H2,1-4H3,(H,33,34)/t15-,16+,17-,18-,19?,20?,21-,22+,25?,26+,27-/m1/s1
• InChIKey: DRRMEMPJCIGHMB-YPYQQCQVSA-N

Properties

• Density: 1.203g/cm³ (Cal.)
• Boiling point: 660.891°C at 760 mmHg (Cal.)
• Flash point: 353.494°C (Cal.)