2-((3-beta,5R,6-beta)-3-(Acetyloxy)Cholestano(5,6-b)Azirin-1'(6H)-Yl)-1H-Isoindole-1,3(2H)-Dione
[CAS# 118517-20-7]

Identification

• Name: 2-((3-beta,5R,6-beta)-3-(Acetyloxy)Cholestano(5,6-b)Azirin-1'(6H)-Yl)-1H-Isoindole-1,3(2H)-Dione
• Synonyms: 3-Acetoxycholestanol(5,6-B)(N-Phthalimido)Aziridine; 3-Beta-Acetoxy-5Alpha-Cholestano(5,6-B)N-Phthalimidoaziridine; 3Beta-Acetoxy-5Alpha-Cholestano(5,6-B)-N-Phthalimidoaziridine
• Molecular Formula: C₃₇H₅₂N₂O₄
• Molecular Weight: 588.83
• CAS Registry Number: 118517-20-7
• SMILES: [C@@H]7(CC[C@]4([C@]3(N(N2C(C1=CC=CC=C1C2=O)=O)[C@H]3C[C@@H]5[C@@H]4CC[C@]6([C@H]5CC[C@@H]6[C@@H](CCCC(C)C)C)C)C7)C)OC(=O)C
• InChI: 1S/C37H52N2O4/c1-22(2)10-9-11-23(3)29-14-15-30-28-20-32-37(39(32)38-33(41)26-12-7-8-13-27(26)34(38)42)21-25(43-24(4)40)16-19-36(37,6)31(28)17-18-35(29,30)5/h7-8,12-13,22-23,25,28-32H,9-11,14-21H2,1-6H3/t23-,25+,28+,29-,30+,31+,32+,35-,36-,37+,39?/m1/s1
• InChIKey: YPVNQSYTFZVXIY-BENLHTCUSA-N

Properties

• Density: 1.188g/cm³ (Cal.)
• Boiling point: 652.677°C at 760 mmHg (Cal.)
• Flash point: 348.527°C (Cal.)