2,6-Dihydroxy-5-[(E)-4-Hydroxy-3,5-Dimethyl-8-Phenyloct-7-Enyl]-7-[(6E,12E)-Tetradeca-6,12-Dienoyl]Oxy-4,8-Dioxabicyclo[3.2.1]Octane-1,2,3-Tricarboxylic Acid
[CAS# 146389-61-9]

Identification

• Name: 2,6-Dihydroxy-5-[(E)-4-Hydroxy-3,5-Dimethyl-8-Phenyloct-7-Enyl]-7-[(6E,12E)-Tetradeca-6,12-Dienoyl]Oxy-4,8-Dioxabicyclo[3.2.1]Octane-1,2,3-Tricarboxylic Acid
• Synonyms: 2,6-Dihydroxy-5-[(E)-4-Hydroxy-3,5-Dimethyl-8-Phenyl-Oct-7-Enyl]-7-[(6E,12E)-Tetradeca-6,12-Dienoyl]Oxy-4,8-Dioxabicyclo[3.2.1]Octane-1,2,3-Tricarboxylic Acid; 2,6-Dihydroxy-5-[(E)-4-Hydroxy-3,5-Dimethyl-8-Phenyloct-7-Enyl]-7-[(6E,12E)-1-Oxotetradeca-6,12-Dienoxy]-4,8-Dioxabicyclo[3.2.1]Octane-1,2,3-Tricarboxylic Acid; L-Glycero-D-Altro-Pentadec-14-En-7-Ulo-7,4-Furanosonic Acid, 2,7-Anhydro-3,4-Di-C-Carboxy-8,9,10,12,13,14,15-Heptadeoxy-10,12-Dimethyl-15-Phenyl-, 5-(6,12-Tetradecadienoate), (5(6E,12E),7S,10Xi,11Xi,12Xi)-
• Molecular Formula: C₃₉H₅₄O₁₃
• Molecular Weight: 730.85
• CAS Registry Number: 146389-61-9
• SMILES: C3=C(/C=C/CC(C(C(CCC12OC(C(C1O)OC(CCCC\C=C\CCCC\C=C\C)=O)(C(C(C(O)=O)O2)(C(O)=O)O)C(O)=O)C)O)C)C=CC=C3
• InChI: 1S/C39H54O13/c1-4-5-6-7-8-9-10-11-12-13-17-23-29(40)50-32-31(42)37(51-33(34(43)44)38(49,35(45)46)39(32,52-37)36(47)48)25-24-27(3)30(41)26(2)19-18-22-28-20-15-14-16-21-28/h4-5,10-11,14-16,18,20-22,26-27,30-33,41-42,49H,6-9,12-13,17,19,23-25H2,1-3H3,(H,43,44)(H,45,46)(H,47,48)/b5-4+,11-10+,22-18+
• InChIKey: VFZAKIFLDMCTJV-HYKJCVRYSA-N

Properties

• Density: 1.303g/cm³ (Cal.)
• Boiling point: 871.602°C at 760 mmHg (Cal.)
• Flash point: 260.365°C (Cal.)