(3beta,20R)-Cholest-5-en-3-yl (10Z,12Z)-9-hydroxy-10,12-octadecadienoate
[CAS# 33783-76-5]

Identification

• Name: (3beta,20R)-Cholest-5-en-3-yl (10Z,12Z)-9-hydroxy-10,12-octadecadienoate
• Synonyms: "(±)-9-hydroxy-10E,12Z-octadecadienoic acid, cholesteryl ester"; (±)9-HODE cholesteryl ester; (±)-9-HYDROXY-10E,12Z-OCTADECADIENOICACID,CHOLESTERYLESTER
• Molecular Formula: C₄₅H₇₆O₃
• Molecular Weight: 665.08
• CAS Registry Number: 33783-76-5
• SMILES: CCCCC/C=C\C=C/C(CCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C)O
• InChI: 1S/C45H76O3/c1-7-8-9-10-11-13-16-22-37(46)23-17-14-12-15-18-24-43(47)48-38-29-31-44(5)36(33-38)25-26-39-41-28-27-40(35(4)21-19-20-34(2)3)45(41,6)32-30-42(39)44/h11,13,16,22,25,34-35,37-42,46H,7-10,12,14-15,17-21,23-24,26-33H2,1-6H3/b13-11-,22-16-/t35-,37?,38+,39+,40-,41+,42+,44+,45-/m1/s1
• InChIKey: ALWABJCAEDQEGO-SOGVISAJSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Boiling point: 705.1±55.0°C at 760 mmHg (Cal.)
• Flash point: 242.3±24.3°C (Cal.)