O-beta-Xylopyranosyl-(1-4)-O-(5-O-Feruloyl-alpha-Arabinofuranosyl-(1-3))-O-beta-Xylopyranosyl-(1-4)-Xylopyranose
[CAS# 114216-65-8]

Identification

• Name: O-beta-Xylopyranosyl-(1-4)-O-(5-O-Feruloyl-alpha-Arabinofuranosyl-(1-3))-O-beta-Xylopyranosyl-(1-4)-Xylopyranose
• Synonyms: [(2S,3R,4R,5S)-5-[(2S,3R,4R,5R)-2-[(1R,2R,3R)-2,3-Dihydroxy-1-(Hydroxymethyl)-4-Oxo-Butoxy]-3-Hydroxy-5-[(2S,3R,4S,5R)-3,4,5-Trihydroxytetrahydropyran-2-Yl]Oxy-Tetrahydropyran-4-Yl]Oxy-3,4-Dihydroxy-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,3R,4R,5S)-5-[[(2S,3R,4R,5R)-2-[(1R,2R,3R)-2,3-Dihydroxy-1-(Hydroxymethyl)-4-Oxobutoxy]-3-Hydroxy-5-[[(2S,3R,4S,5R)-3,4,5-Trihydroxy-2-Tetrahydropyranyl]Oxy]-4-Tetrahydropyranyl]Oxy]-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl Ester; (E)-3-(4-Hydroxy-3-Methoxy-Phenyl)Acrylic Acid [(2S,3R,4R,5S)-5-[(2S,3R,4R,5R)-2-[(1R,2R,3R)-2,3-Dihydroxy-4-Keto-1-Methylol-Butoxy]-3-Hydroxy-5-[(2S,3R,4S,5R)-3,4,5-Trihydroxytetrahydropyran-2-Yl]Oxy-Tetrahydropyran-4-Yl]Oxy-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Ester
• Molecular Formula: C₃₀H₄₂O₂₀
• Molecular Weight: 722.65
• CAS Registry Number: 114216-65-8
• SMILES: [C@@H]1([C@@H](OC[C@H]([C@@H]1O)O)O[C@@H]2CO[C@H]([C@@H]([C@H]2O[C@@H]3O[C@H]([C@@H]([C@H]3O)O)COC(\C=C\C4=CC=C(C(=C4)OC)O)=O)O)O[C@@H]([C@@H]([C@H](C=O)O)O)CO)O
• InChI: 1S/C30H42O20/c1-43-16-6-12(2-4-13(16)33)3-5-20(36)44-10-18-23(39)25(41)30(48-18)50-27-19(49-28-24(40)22(38)15(35)9-45-28)11-46-29(26(27)42)47-17(8-32)21(37)14(34)7-31/h2-7,14-15,17-19,21-30,32-35,37-42H,8-11H2,1H3/b5-3+/t14-,15+,17+,18-,19+,21+,22-,23-,24+,25+,26+,27-,28-,29-,30-/m0/s1
• InChIKey: UMSSASUOLWJSAP-VNINZPMBSA-N

Properties

• Density: 1.644g/cm³ (Cal.)
• Boiling point: 1041.573°C at 760 mmHg (Cal.)
• Flash point: 329.432°C (Cal.)