3beta-Hydroxy-5-Cholestene 3-[6-(1-Pyrene)Hexanoate]
[CAS# 96886-70-3]

Identification

• Name: 3beta-Hydroxy-5-Cholestene 3-[6-(1-Pyrene)Hexanoate]
• Synonyms: [(3S,8S,9S,10R,13R,14S)-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] 6-Pyren-1-Ylhexanoate; 6-(1-Pyrenyl)Hexanoic Acid [(3S,8S,9S,10R,13R,14S)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimet
• Molecular Formula: C₄₉H₆₄O₂
• Molecular Weight: 685.04
• CAS Registry Number: 96886-70-3
• SMILES: [C@@H]6(OC(CCCCCC1=C2C=CC3=CC=CC4=CC=C(C=C1)C2=C34)=O)CC5=CC[C@@H]7[C@@H]([C@]5(CC6)C)CC[C@]8([C@H]7CCC8[C@@H](CCCC(C)C)C)C
• InChI: 1S/C49H64O2/c1-32(2)11-9-12-33(3)42-25-26-43-41-24-22-38-31-39(27-29-48(38,4)44(41)28-30-49(42,43)5)51-45(50)16-8-6-7-13-34-17-18-37-20-19-35-14-10-15-36-21-23-40(34)47(37)46(35)36/h10,14-15,17-23,32-33,39,41-44H,6-9,11-13,16,24-31H2,1-5H3/t33-,39+,41+,42
• InChIKey: YRAVQIYIXJZCDI-UCVGMQCJSA-N

Properties

• Density: 1.099g/cm³ (Cal.)
• Boiling point: 754.997°C at 760 mmHg (Cal.)
• Flash point: 412.678°C (Cal.)