[(2R,3S,4S,5R,6R)-5-[(2S,3R,4S,5S,6R)-6-(Acetyloxymethyl)-3,4,5-Trihydroxyoxan-2-Yl]Oxy-3,4-Dihydroxy-6-[(E)-16-Oxohexadec-3-En-2-Yl]Oxyoxan-2-Yl]Methyl Acetate
[CAS# 130994-78-4]

Identification

• Name: [(2R,3S,4S,5R,6R)-5-[(2S,3R,4S,5S,6R)-6-(Acetyloxymethyl)-3,4,5-Trihydroxyoxan-2-Yl]Oxy-3,4-Dihydroxy-6-[(E)-16-Oxohexadec-3-En-2-Yl]Oxyoxan-2-Yl]Methyl Acetate
• Synonyms: [(2R,3S,4S,5R,6R)-5-[(2S,3R,4S,5S,6R)-6-(Acetoxymethyl)-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl]Oxy-3,4-Dihydroxy-6-[(E)-1-Methyl-15-Oxo-Pentadec-2-Enoxy]Tetrahydropyran-2-Yl]Methyl Acetate; Acetic Acid [(2R,3S,4S,5R,6R)-5-[[(2S,3R,4S,5S,6R)-6-(Acetoxymethyl)-3,4,5-Trihydroxy-2-Tetrahydropyranyl]Oxy]-3,4-Dihydroxy-6-[(E)-1-Methyl-15-Oxopentadec-2-Enoxy]-2-Tetrahydropyranyl]Methyl Ester; Acetic Acid [(2R,3S,4S,5R,6R)-5-[(2S,3R,4S,5S,6R)-6-(Acetoxymethyl)-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl]Oxy-3,4-Dihydroxy-6-[(E)-15-Keto-1-Methyl-Pentadec-2-Enoxy]Tetrahydropyran-2-Yl]Methyl Ester
• Molecular Formula: C₃₂H₅₄O₁₄
• Molecular Weight: 662.77
• CAS Registry Number: 130994-78-4
• SMILES: [C@@H]2(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)COC(=O)C)[C@@H](O)[C@H](O)[C@H](O[C@H]2OC(\C=C\CCCCCCCCCCCC=O)C)COC(=O)C
• InChI: 1S/C32H54O14/c1-20(16-14-12-10-8-6-4-5-7-9-11-13-15-17-33)43-32-30(28(39)26(37)24(45-32)19-42-22(3)35)46-31-29(40)27(38)25(36)23(44-31)18-41-21(2)34/h14,16-17,20,23-32,36-40H,4-13,15,18-19H2,1-3H3/b16-14+/t20?,23-,24-,25-,26-,27+,28+,29-,30-,31+,32-/m1/s1
• InChIKey: VPRCGUTXCASMMQ-VYTSRIRFSA-N

Properties

• Density: 1.259g/cm³ (Cal.)
• Boiling point: 782.273°C at 760 mmHg (Cal.)
• Flash point: 237.975°C (Cal.)