3-Cholesteryl-N-Octylcarbamate
[CAS# 57228-66-7]

Identification

• Name: 3-Cholesteryl-N-Octylcarbamate
• Synonyms: [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] N-Octylcarbamate; N-Octylcarbamic Acid [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ester; 3-Cholesteryl-N-Octylcarbamate
• Molecular Formula: C₃₆H₆₃NO₂
• Molecular Weight: 541.90
• CAS Registry Number: 57228-66-7
• SMILES: [C@H]34[C@H]1[C@@H]([C@@]2(C(=CC1)C[C@@H](OC(=O)NCCCCCCCC)CC2)C)CC[C@@]3([C@H](CC4)[C@@H](CCCC(C)C)C)C
• InChI: 1S/C36H63NO2/c1-7-8-9-10-11-12-24-37-34(38)39-29-20-22-35(5)28(25-29)16-17-30-32-19-18-31(27(4)15-13-14-26(2)3)36(32,6)23-21-33(30)35/h16,26-27,29-33H,7-15,17-25H2,1-6H3,(H,37,38)/t27-,29+,30+,31-,32+,33+,35+,36-/m1/s1
• InChIKey: VFDGHTDBOQKAMG-MKQVXYPISA-N

Properties

• Density: 0.987g/cm³ (Cal.)
• Boiling point: 611.302°C at 760 mmHg (Cal.)
• Flash point: 323.504°C (Cal.)