(1S,2S,3S,5R,6R,7R)-5-[(E)-4-Acetyloxy-5-Methyl-8-Phenyloct-7-Enyl]-7-Decanoyloxy-2,6-Dihydroxy-4,8-Dioxabicyclo[3.2.1]Octane-1,2,3-Tricarboxylic Acid
[CAS# 155179-15-0]

Identification

• Name: (1S,2S,3S,5R,6R,7R)-5-[(E)-4-Acetyloxy-5-Methyl-8-Phenyloct-7-Enyl]-7-Decanoyloxy-2,6-Dihydroxy-4,8-Dioxabicyclo[3.2.1]Octane-1,2,3-Tricarboxylic Acid
• Synonyms: (1S,2S,3S,5R,6R,7R)-5-[(E)-4-Acetoxy-5-Methyl-8-Phenyl-Oct-7-Enyl]-7-Decanoyloxy-2,6-Dihydroxy-4,8-Dioxabicyclo[3.2.1]Octane-1,2,3-Tricarboxylic Acid; (1S,2S,3S,5R,6R,7R)-5-[(E)-4-Acetoxy-5-Methyl-8-Phenyloct-7-Enyl]-2,6-Dihydroxy-7-(1-Oxodecoxy)-4,8-Dioxabicyclo[3.2.1]Octane-1,2,3-Tricarboxylic Acid; (1S,2S,3S,5R,6R,7R)-5-[(E)-4-Acetoxy-5-Methyl-8-Phenyl-Oct-7-Enyl]-7-Capryloxy-2,6-Dihydroxy-4,8-Dioxabicyclo[3.2.1]Octane-1,2,3-Tricarboxylic Acid
• Molecular Formula: C₃₆H₅₀O₁₄
• Molecular Weight: 706.78
• CAS Registry Number: 155179-15-0
• SMILES: [C@]12(O[C@@](O[C@@H]([C@@]1(O)C(=O)O)C(=O)O)([C@H](O)[C@H]2OC(=O)CCCCCCCCC)CCCC(OC(=O)C)C(C\C=C\C3=CC=CC=C3)C)C(=O)O
• InChI: 1S/C36H50O14/c1-4-5-6-7-8-9-13-21-27(38)48-29-28(39)34(49-30(31(40)41)35(46,32(42)43)36(29,50-34)33(44)45)22-15-20-26(47-24(3)37)23(2)16-14-19-25-17-11-10-12-18-25/h10-12,14,17-19,23,26,28-30,39,46H,4-9,13,15-16,20-22H2,1-3H3,(H,40,41)(H,42,43)(H,44,45)/b19-14+/t23?,26?,28-,29-,30-,34-,35-,36-/m1/s1
• InChIKey: WDLYATMIWWDJQY-GWDLGUPBSA-N

Properties

• Density: 1.331g/cm³ (Cal.)
• Boiling point: 834.809°C at 760 mmHg (Cal.)
• Flash point: 252.666°C (Cal.)