Methyl 9-[(2S,3S,4S,5R,6R)-3,5-Dihydroxy-6-(Hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyoxan-2-Yl]Oxynonanoate
[CAS 154354-46-8]

Identification

• Name: Methyl 9-[(2S,3S,4S,5R,6R)-3,5-Dihydroxy-6-(Hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyoxan-2-Yl]Oxynonanoate
• Synonyms: Methyl 9-[(2S,3S,4S,5R,6R)-3,5-Dihydroxy-6-(Hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxynonanoate; 9-[[(2S,3S,4S,5R,6R)-3,5-Dihydroxy-6-(Hydroxymethyl)-4-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxy]Nonanoic Acid Methyl Ester; 9-[(2S,3S,4S,5R,6R)-3,5-Dihydroxy-6-Methylol-4-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxypelargonic Acid Methyl Ester
• Molecular Formula: C₂₂H₄₀O₁₃
• Molecular Weight: 512.55
• CAS Registry Number: 154354-46-8
• SMILES: [C@@H]2(OCCCCCCCCC(=O)OC)[C@@H](O)[C@@H](O[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO)[C@H](O)[C@H](O2)CO
• InChI: 1S/C22H40O13/c1-31-14(25)8-6-4-2-3-5-7-9-32-21-19(30)20(16(27)13(11-24)33-21)35-22-18(29)17(28)15(26)12(10-23)34-22/h12-13,15-24,26-30H,2-11H2,1H3/t12-,13-,15-,16-,17+,18-,19+,20+,21+,22-/m1/s1
• InChIKey: DPPFTOHFHJFIMC-XIGWDEPYSA-N

Properties

• Density: 1.398g/cm³ (Cal.)
• Boiling point: 733.6°C at 760 mmHg (Cal.)
• Flash point: 243.852°C (Cal.)