2-Carbomethoxy-A-Nor-5 alpha-Cholestan-3-One
[CAS# 84393-64-6]

Identification

• Name: 2-Carbomethoxy-A-Nor-5 alpha-Cholestan-3-One
• Synonyms: 2-Carbomethoxy-A-Nor-5Alpha-Cholestan-3-One; 2-Cmnco
• Molecular Formula: C₂₈H₄₆O₃
• Molecular Weight: 430.67
• CAS Registry Number: 84393-64-6
• SMILES: [C@H]4([C@@]2([C@H]([C@@H]1CC[C@@H]3[C@@]([C@H]1CC2)(C(CC3=O)C(=O)OC)C)CC4)C)[C@@H](CCCC(C)C)C
• InChI: 1S/C28H46O3/c1-17(2)8-7-9-18(3)20-12-13-21-19-10-11-23-25(29)16-24(26(30)31-6)28(23,5)22(19)14-15-27(20,21)4/h17-24H,7-16H2,1-6H3/t18-,19+,20-,21+,22+,23+,24?,27-,28-/m1/s1
• InChIKey: PJSICHQRUIZDEW-JRPMKIQBSA-N

Properties

• Density: 1.012g/cm³ (Cal.)
• Boiling point: 500.45°C at 760 mmHg (Cal.)
• Flash point: 209.698°C (Cal.)