Trinitrophenylaminolauryl Cholesterol
[CAS# 96337-56-3]

Identification

• Name: Trinitrophenylaminolauryl Cholesterol
• 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] 12-[(2,4,6-Trinitrophenyl)Amino]Dodecanoate; 12-[(2,4,6-Trinitrophenyl)Amino]Dodecanoic Acid [(3S,8S,9S,10R,1
• Molecular Formula: C₄₅H₇₀N₄O₈
• Molecular Weight: 795.07
• CAS Registry Number: 96337-56-3
• SMILES: [C@@H]3(OC(CCCCCCCCCCCNC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O)=O)CC2=CC[C@@H]4[C@@H]([C@]2(CC3)C)CC[C@]5([C@H]4CC[C@@H]5[C@@H](CCCC(C)C)C)C
• InChI: 1S/C45H70N4O8/c1-31(2)16-15-17-32(3)37-21-22-38-36-20-19-33-28-35(23-25-44(33,4)39(36)24-26-45(37,38)5)57-42(50)18-13-11-9-7-6-8-10-12-14-27-46-43-40(48(53)54)29-34(47(51)52)30-41(43)49(55)56/h19,29-32,35-39,46H,6-18,20-28H2,1-5H3/t32-,35+,36+,37-,38+,39+
• InChIKey: RDEZETYZVUJCLR-GYUGCDFYSA-N

Properties

• Density: 1.157g/cm³ (Cal.)
• Boiling point: 793.855°C at 760 mmHg (Cal.)
• Flash point: 433.908°C (Cal.)