6-[(1E,3E,5E)-6-[(1S,2S,3R,5R,6R)-2,8-Dihydroxy-1,3,5,6-Tetramethyl-4,7-Dioxabicyclo[3.2.1]Octan-3-Yl]Hexa-1,3,5-Trienyl]-4-Methoxy-5-Methylpyran-2-One
[CAS# 79503-62-1]

Identification

• Name: 6-[(1E,3E,5E)-6-[(1S,2S,3R,5R,6R)-2,8-Dihydroxy-1,3,5,6-Tetramethyl-4,7-Dioxabicyclo[3.2.1]Octan-3-Yl]Hexa-1,3,5-Trienyl]-4-Methoxy-5-Methylpyran-2-One
• Synonyms: D-Threo-D-Gluco-Octitol, 2,6:4,7-Dianhydro-1,8-Dideoxy-2-C-((1E,3E,5E)-6-(4-Methoxy-5-Methyl-2-Oxo-2H-Pyran-6-Yl)-1,3,5-Hexatrienyl)-4,6-Di-C-Methyl-; 6-[(1E,3E,5E)-6-[(1S,2S,3R,5R,6R)-2,8-Dihydroxy-1,3,5,6-Tetramethyl-4,7-Dioxabicyclo[3.2.1]Octan-3-Yl]Hexa-1,3,5-Trienyl]-4-Methoxy-5-Methyl-Pyran-2-One; 6-[(1E,3E,5E)-6-[(1S,2S,3R,5R,6R)-2,8-Dihydroxy-1,3,5,6-Tetramethyl-4,7-Dioxabicyclo[3.2.1]Octan-3-Yl]Hexa-1,3,5-Trienyl]-4-Methoxy-5-Methyl-2-Pyranone
• Molecular Formula: C₂₃H₃₀O₇
• Molecular Weight: 418.49
• CAS Registry Number: 79503-62-1
• SMILES: [C@@]13(O[C@@H]([C@](O[C@@]([C@@H]1O)(\C=C\C=C\C=C\C2=C(C(=CC(O2)=O)OC)C)C)(C3O)C)C)C
• InChI: 1S/C23H30O7/c1-14-16(28-18(24)13-17(14)27-6)11-9-7-8-10-12-21(3)19(25)23(5)20(26)22(4,30-21)15(2)29-23/h7-13,15,19-20,25-26H,1-6H3/b8-7+,11-9+,12-10+/t15-,19+,20?,21-,22+,23+/m1/s1
• InChIKey: BHMIDMOHWXULQB-NXIHKJPGSA-N

Properties

• Density: 1.25g/cm³ (Cal.)
• Boiling point: 611.649°C at 760 mmHg (Cal.)
• Flash point: 208.329°C (Cal.)