Cholesteryl-2-Coumarate
[CAS# 99910-85-7]

Identification

• Name: Cholesteryl-2-Coumarate
• 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] (E)-3-(2-Hydroxyphenyl)Prop-2-Enoate; (E)-3-(2-Hydroxyphenyl)Prop-2-Enoic Acid [(3S,8S,9S,10R,13R,14S,17R)-17
• Molecular Formula: C₃₆H₅₂O₃
• Molecular Weight: 532.81
• CAS Registry Number: 99910-85-7
• SMILES: [C@H]45[C@H]1[C@@H]([C@@]3(C(=CC1)C[C@@H](OC(=O)\C=C\C2=CC=CC=C2O)CC3)C)CC[C@@]4([C@H](CC5)[C@@H](CCCC(C)C)C)C
• InChI: 1S/C36H52O3/c1-24(2)9-8-10-25(3)30-16-17-31-29-15-14-27-23-28(19-21-35(27,4)32(29)20-22-36(30,31)5)39-34(38)18-13-26-11-6-7-12-33(26)37/h6-7,11-14,18,24-25,28-32,37H,8-10,15-17,19-23H2,1-5H3/b18-13+/t25-,28+,29+,30-,31+,32+,35+,36-/m1/s1
• InChIKey: JPTUJXPTFCNGAF-FWFAPRHVSA-N

Properties

• Density: 1.079g/cm³ (Cal.)
• Boiling point: 623.035°C at 760 mmHg (Cal.)
• Flash point: 227.165°C (Cal.)