Cholesteryl 4,4-difluoro-5,7-dimethyl-4-bora-3,4-diaza-3-indacenedodecanoate
[CAS# 151736-99-1]

Identification

• Name: Cholesteryl 4,4-difluoro-5,7-dimethyl-4-bora-3,4-diaza-3-indacenedodecanoate
• Synonyms: Boron(+3) Cation; [17-(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-[5-[(Z)-(3,5-Dimethylpyrrol-2-Ylidene)Methyl]Pyrrol-1-Id-2-Yl]Dodecanoate; Difluoride; Boron(+3) Cation; 12-[5-[(Z)-(3,5-Dimethyl-2-Pyrrolylidene)Methyl]-2-Pyrrol-1-Idyl]Dodecanoic Acid [17-(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; Difluoride
• Molecular Formula: C₅₀H₇₇BF₂N₂O₂
• Molecular Weight: 786.98
• CAS Registry Number: 151736-99-1
• SMILES: [B+3].[N-]1C(=CC(=C1C=C2N=C(C=C2)CCCCCCCCCCCC(=O)OC4CC3=CCC5C(C3(CC4)C)CCC6(C5CCC6C(CCCC(C)C)C)C)C)C.[F-].[F-]
• InChI: 1S/C50H77N2O2.B.2FH/c1-35(2)18-17-19-36(3)44-26-27-45-43-25-22-39-33-42(28-30-49(39,6)46(43)29-31-50(44,45)7)54-48(53)21-16-14-12-10-8-9-11-13-15-20-40-23-24-41(52-40)34-47-37(4)32-38(5)51-47;;;/h22-24,32,34-36,42-46H,8-21,25-31,33H2,1-7H3;;2*1H/q-1;+3;;/p-2
• InChIKey: MSNUOLLURMMQGK-UHFFFAOYSA-L

Properties

• Boiling point: 774.8°C at 760 mmHg (Cal.)
• Flash point: 422.4°C (Cal.)