[(3S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-Yl] (9E,11E,13E,15E)-Octadeca-9,11,13,15-Tetraenoate
[CAS# 72467-67-5]

Identification

• Name: [(3S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-Yl] (9E,11E,13E,15E)-Octadeca-9,11,13,15-Tetraenoate
• 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] (9E,11E,13E,15E)-Octadeca-9,11,13,15-Tetraenoate; (9E,11E,13E,15E)-Octadeca-9,11,13,15-Tetraenoic Acid [(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] Ester; Cholesteryl Cis-Parinarate
• Molecular Formula: C₄₅H₇₂O₂
• Molecular Weight: 645.06
• CAS Registry Number: 72467-67-5
• SMILES: [C@@H]4([C@@H](CCCC(C)C)C)[C@@]3([C@H]([C@@H]2CC=C1C[C@H](CC[C@@]1([C@H]2CC3)C)OC(CCCCCCC\C=C\C=C\C=C\C=C\CC)=O)CC4)C
• InChI: 1S/C45H72O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h8-15,26,35-36,38-42H,7,16-25,27-34H2,1-6H3/b9-8+,11-10+,13-12+,15-14+/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1
• InChIKey: VKFWRMXFODQCJN-GLCDNDOZSA-N

Properties

• Density: 0.978g/cm³ (Cal.)
• Boiling point: 692.01°C at 760 mmHg (Cal.)
• Flash point: 373.241°C (Cal.)