8,10,13-Trimethyl-17-(5-Methylhexyl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-3-Yl 2-Oxo-2H-Chromene-3-Carboxylate
[CAS# 196091-78-8]

Identification

• Name: 8,10,13-Trimethyl-17-(5-Methylhexyl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-3-Yl 2-Oxo-2H-Chromene-3-Carboxylate
• Synonyms: Cholesteryl coumarin-3-carboxylate
• Molecular Formula: C₃₇H₅₀O₄
• Molecular Weight: 558.79
• CAS Registry Number: 196091-78-8
• SMILES: CC(C)CCCCC1CCC2C1(CCC3C2(CC=C4C3(CCC(C4)OC(=O)C5=CC6=CC=CC=C6OC5=O)C)C)C
• InChI: 1S/C37H50O4/c1-24(2)10-6-8-12-26-14-15-31-35(26,3)21-18-32-36(4)20-17-28(23-27(36)16-19-37(31,32)5)40-33(38)29-22-25-11-7-9-13-30(25)41-34(29)39/h7,9,11,13,16,22,24,26,28,31-32H,6,8,10,12,14-15,17-21,23H2,1-5H3
• InChIKey: ZFLXFZDSUOCMDU-UHFFFAOYSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 649.0±55.0°C at 760 mmHg (Cal.)
• Flash point: 319.3±29.9°C (Cal.)
• Refractive index: 1.572 (Cal.)
• solubility: Dioxane