N-[(3alpha,5beta,7alpha,8xi,9xi,14xi)-3,7-Dihydroxy-24-oxocholan-24-yl]-N-methylglycine
[CAS# 88446-86-0]

Identification

• Name: N-[(3alpha,5beta,7alpha,8xi,9xi,14xi)-3,7-Dihydroxy-24-oxocholan-24-yl]-N-methylglycine
• Synonyms: Glycine, N-((3α,5β,7α)-3,7-dihydroxy-24-oxocholan-24-yl)-N-methyl-; Glycine, N-((3-α,5-β,7-α)-3,7-dihydroxy-24-oxocholan-24-yl)-N-methyl-; N-((3-α,5-β,7-α)-3,7-Dihydroxy-24-oxocholan-24-yl)-N-methylglycine
• Molecular Formula: C₂₇H₄₅NO₅
• Molecular Weight: 463.65
• CAS Registry Number: 88446-86-0
• SMILES: O=C(O)CN(C(=O)CC[C@H]([C@H]1CCC2[C@]1(C)CCC4C2[C@H](O)C[C@@H]3C[C@H](O)CC[C@@]34C)C)C
• InChI: 1S/C27H45NO5/c1-16(5-8-23(31)28(4)15-24(32)33)19-6-7-20-25-21(10-12-27(19,20)3)26(2)11-9-18(29)13-17(26)14-22(25)30/h16-22,25,29-30H,5-15H2,1-4H3,(H,32,33)/t16-,17+,18-,19-,20?,21?,22-,25?,26+,27-/m1/s1
• InChIKey: YZYBIGOLMMAZFK-XXGXDZQLSA-N

Properties

• Density: 1.154g/cm³ (Cal.)
• Boiling point: 626.519°C at 760 mmHg (Cal.)
• Flash point: 332.707°C (Cal.)