Ethyl N-[(3alpha,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]glycinate
[CAS# 94006-05-0]

Identification

• Name: Ethyl N-[(3alpha,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]glycinate
• Synonyms: ethyl N-[(3α,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]aminoacetate
• Molecular Formula: C₂₈H₄₇NO₆
• Molecular Weight: 493.68
• CAS Registry Number: 94006-05-0
• EINECS: 301-341-0
• SMILES: CCOC(=O)CNC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@H](O)CC1C[C@H](O)CC[C@]1(C)[C@H]4C[C@H](O)[C@]23C
• InChI: 1S/C28H47NO6/c1-5-35-25(34)15-29-24(33)9-6-16(2)19-7-8-20-26-21(14-23(32)28(19,20)4)27(3)11-10-18(30)12-17(27)13-22(26)31/h16-23,26,30-32H,5-15H2,1-4H3,(H,29,33)/t16-,17?,18-,19-,20+,21+,22-,23+,26+,27+,28-/m1/s1
• InChIKey: IUMZSPQFQUFAHS-CWDNZPLVSA-N

Properties

• Density: 1.16g/cm³ (Cal.)
• Boiling point: 652.567°C at 760 mmHg (Cal.)
• Flash point: 348.46°C (Cal.)