6'-O-Feruloylsucrose
[CAS# 118230-77-6]

Identification

• Name: 6'-O-Feruloylsucrose
• Synonyms: [(2R,3S,4S,5R,6R)-6-[(2R,3S,4S,5R)-3,4-Dihydroxy-2,5-Bis(Hydroxymethyl)Tetrahydrofuran-2-Yl]Oxy-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl]Methyl (E)-3-(4-Hydroxy-3-Methoxy-Phenyl)Prop-2-Enoate; (E)-3-(4-Hydroxy-3-Methoxyphenyl)Prop-2-Enoic Acid [(2R,3S,4S,5R,6R)-6-[[(2R,3S,4S,5R)-3,4-Dihydroxy-2,5-Bis(Hydroxymethyl)-2-Tetrahydrofuranyl]Oxy]-3,4,5-Trihydroxy-2-Tetrahydropyranyl]Methyl Ester; (E)-3-(4-Hydroxy-3-Methoxy-Phenyl)Acrylic Acid [(2R,3S,4S,5R,6R)-6-[(2R,3S,4S,5R)-3,4-Dihydroxy-2,5-Dimethylol-Tetrahydrofuran-2-Yl]Oxy-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl]Methyl Ester
• Molecular Formula: C₂₂H₃₀O₁₄
• Molecular Weight: 518.47
• CAS Registry Number: 118230-77-6
• SMILES: [C@@H]2(O[C@]1(CO)[C@@H](O)[C@H](O)[C@H](O1)CO)[C@H](O)[C@@H](O)[C@H](O)[C@H](O2)COC(\C=C\C3=CC=C(C(=C3)OC)O)=O
• InChI: 1S/C22H30O14/c1-32-12-6-10(2-4-11(12)25)3-5-15(26)33-8-14-16(27)18(29)19(30)21(34-14)36-22(9-24)20(31)17(28)13(7-23)35-22/h2-6,13-14,16-21,23-25,27-31H,7-9H2,1H3/b5-3+/t13-,14-,16-,17-,18+,19-,20+,21-,22-/m1/s1
• InChIKey: XMBZZLUIFFOAHR-HNDQWBAUSA-N

Properties

• Density: 1.634g/cm³ (Cal.)
• Boiling point: 843.168°C at 760 mmHg (Cal.)
• Flash point: 287.208°C (Cal.)