3-Cholesteryl N-Butylcarbamate
[CAS# 52829-26-2]

Identification

• Name: 3-Cholesteryl N-Butylcarbamate
• 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-Butylcarbamate; N-Butylcarbamic 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-Butylcarbamate
• Molecular Formula: C₃₂H₅₅NO₂
• Molecular Weight: 485.79
• CAS Registry Number: 52829-26-2
• SMILES: [C@H]34[C@H]1[C@@H]([C@@]2(C(=CC1)C[C@@H](OC(=O)NCCCC)CC2)C)CC[C@@]3([C@H](CC4)[C@@H](CCCC(C)C)C)C
• InChI: 1S/C32H55NO2/c1-7-8-20-33-30(34)35-25-16-18-31(5)24(21-25)12-13-26-28-15-14-27(23(4)11-9-10-22(2)3)32(28,6)19-17-29(26)31/h12,22-23,25-29H,7-11,13-21H2,1-6H3,(H,33,34)/t23-,25+,26+,27-,28+,29+,31+,32-/m1/s1
• InChIKey: YRLNNPIPHGFZON-PTHRTHQKSA-N

Properties

• Density: 1.002g/cm³ (Cal.)
• Boiling point: 567.463°C at 760 mmHg (Cal.)
• Flash point: 296.991°C (Cal.)