(2Z,3E,5E,7E,9E,11E,13E)-14-[(2R,3R,4S)-3,4-Dihydroxy-5-Oxo-2-(1,2,3-Trihydroxypropyl)-3,4-Dihydro-2H-Pyrano[2,3-d]Pyran-7-Yl]-2-(2,4-Dimethylhexylidene)-4-Methyltetradeca-3,5,7,9,11,13-Hexaenoic Acid
[CAS# 197631-20-2]

Identification

• Name: (2Z,3E,5E,7E,9E,11E,13E)-14-[(2R,3R,4S)-3,4-Dihydroxy-5-Oxo-2-(1,2,3-Trihydroxypropyl)-3,4-Dihydro-2H-Pyrano[2,3-d]Pyran-7-Yl]-2-(2,4-Dimethylhexylidene)-4-Methyltetradeca-3,5,7,9,11,13-Hexaenoic Acid
• Synonyms: (2Z,3E,5E,7E,9E,11E,13E)-14-[(2R,3R,4S)-3,4-Dihydroxy-5-Oxo-2-(1,2,3-Trihydroxypropyl)-3,4-Dihydro-2H-Pyrano[2,3-D]Pyran-7-Yl]-2-(2,4-Dimethylhexylidene)-4-Methyl-Tetradeca-3,5,7,9,11,13-Hexaenoic Acid; (2Z,3E,5E,7E,9E,11E,13E)-14-[(2R,3R,4S)-3,4-Dihydroxy-5-Keto-2-(1,2,3-Trihydroxypropyl)-3,4-Dihydro-2H-Pyrano[2,3-D]Pyran-7-Yl]-2-(2,4-Dimethylhexylidene)-4-Methyl-Tetradeca-3,5,7,9,11,13-Hexaenoic Acid; E,13E)-Rel-
• Molecular Formula: C₃₄H₄₄O₁₀
• Molecular Weight: 612.72
• CAS Registry Number: 197631-20-2
• SMILES: [C@H]1(O)C2=C(O[C@H]([C@@H]1O)C(O)C(O)CO)C=C(OC2=O)\C=C\C=C\C=C\C=C\C=C\C(=C\C(=C\C(CC(CC)C)C)C(=O)O)C
• InChI: 1S/C34H44O10/c1-5-21(2)16-23(4)18-24(33(40)41)17-22(3)14-12-10-8-6-7-9-11-13-15-25-19-27-28(34(42)43-25)30(38)31(39)32(44-27)29(37)26(36)20-35/h6-15,17-19,21,23,26,29-32,35-39H,5,16,20H2,1-4H3,(H,40,41)/b7-6+,10-8+,11-9+,14-12+,15-13+,22-17+,24-18-/t21?,23?,26?,29?,30-,31+,32-/m0/s1
• InChIKey: GDSQFNQIWJCATH-PHOXTJPWSA-N

Properties

• Density: 1.281g/cm³ (Cal.)
• Boiling point: 910.069°C at 760 mmHg (Cal.)
• Flash point: 286.552°C (Cal.)