[(2S,3S,4R,5S)-4-Acetyloxy-5-[(2S,3R,4S,5R)-4,5-Dihydroxy-2-[(2R,3R,4S,5R)-3,4,5-Trihydroxyoxan-2-Yl]Oxyoxan-3-Yl]Oxy-3-Hydroxyoxolan-2-Yl]Methyl (E)-3-(4-Hydroxy-3-Methoxyphenyl)Prop-2-Enoate
[CAS# 135546-60-0]

Identification

• Name: [(2S,3S,4R,5S)-4-Acetyloxy-5-[(2S,3R,4S,5R)-4,5-Dihydroxy-2-[(2R,3R,4S,5R)-3,4,5-Trihydroxyoxan-2-Yl]Oxyoxan-3-Yl]Oxy-3-Hydroxyoxolan-2-Yl]Methyl (E)-3-(4-Hydroxy-3-Methoxyphenyl)Prop-2-Enoate
• Synonyms: [(2S,3S,4R,5S)-4-Acetoxy-5-[(2S,3R,4S,5R)-4,5-Dihydroxy-2-[(2R,3R,4S,5R)-3,4,5-Trihydroxytetrahydropyran-2-Yl]Oxy-Tetrahydropyran-3-Yl]Oxy-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl (E)-3-(4-Hydroxy-3-Methoxy-Phenyl)Prop-2-Enoate; (E)-3-(4-Hydroxy-3-Methoxyphenyl)Prop-2-Enoic Acid [(2S,3S,4R,5S)-4-Acetoxy-5-[[(2S,3R,4S,5R)-4,5-Dihydroxy-2-[[(2R,3R,4S,5R)-3,4,5-Trihydroxy-2-Tetrahydropyranyl]Oxy]-3-Tetrahydropyranyl]Oxy]-3-Hydroxy-2-Tetrahydrofuranyl]Methyl Ester; (E)-3-(4-Hydroxy-3-Methoxy-Phenyl)Acrylic Acid [(2S,3S,4R,5S)-4-Acetoxy-5-[(2S,3R,4S,5R)-4,5-Dihydroxy-2-[(2R,3R,4S,5R)-3,4,5-Trihydroxytetrahydropyran-2-Yl]Oxy-Tetrahydropyran-3-Yl]Oxy-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Ester
• Molecular Formula: C₂₇H₃₆O₁₇
• Molecular Weight: 632.57
• CAS Registry Number: 135546-60-0
• SMILES: [C@H]4(O[C@@H]1[C@H](O)[C@@H](O)[C@H](O)CO1)[C@H](O[C@H]2[C@H](OC(=O)C)[C@@H](O)[C@@H](O2)COC(\C=C\C3=CC=C(C(=C3)OC)O)=O)[C@@H](O)[C@H](O)CO4
• InChI: 1S/C27H36O17/c1-11(28)41-24-21(35)17(10-38-18(32)6-4-12-3-5-13(29)16(7-12)37-2)42-27(24)43-23-20(34)15(31)9-40-26(23)44-25-22(36)19(33)14(30)8-39-25/h3-7,14-15,17,19-27,29-31,33-36H,8-10H2,1-2H3/b6-4+/t14-,15-,17+,19+,20+,21+,22-,23-,24-,25-,26+,27+/m1/s1
• InChIKey: FXWDCXWGZBCYRK-XLNOXRKASA-N

Properties

• Density: 1.589g/cm³ (Cal.)
• Boiling point: 885.512°C at 760 mmHg (Cal.)
• Flash point: 288.181°C (Cal.)