5,5'-Di-O-(diferul-9,9'-dioyl)arabinofuranosyl-(1-3)-xylopyranosyl-(1-4)-xylopyranose
[CAS# 138935-21-4]

Identification

• Name: 5,5'-Di-O-(diferul-9,9'-dioyl)arabinofuranosyl-(1-3)-xylopyranosyl-(1-4)-xylopyranose
• Synonyms: [5-[2-[2,3-Dihydroxy-1-(Hydroxymethyl)-4-Oxo-Butoxy]-3,5-Dihydroxy-Tetrahydropyran-4-Yl]Oxy-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl (E)-3-[3-[5-[(E)-3-[[5-[2-[2,3-Dihydroxy-1-(Hydroxymethyl)-4-Oxo-Butoxy]-3,5-Dihydroxy-Tetrahydropyran-4-Yl]Oxy-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy]-3-Oxo-Prop-1-Enyl]-2-Hydroxy-3-Methoxy-Phenyl]-4-Hydroxy-5-Methoxy-Phenyl]Prop-2-Enoate; (E)-3-[3-[5-[(E)-3-[[5-[[2-[2,3-Dihydroxy-1-(Hydroxymethyl)-4-Oxobutoxy]-3,5-Dihydroxy-4-Tetrahydropyranyl]Oxy]-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy]-3-Oxoprop-1-Enyl]-2-Hydroxy-3-Methoxyphenyl]-4-Hydroxy-5-Methoxyphenyl]Prop-2-Enoic Acid [5-[[2-[2,3-Dihydroxy-1-(Hydroxymethyl)-4-Oxobutoxy]-3,5-Dihydroxy-4-Tetrahydropyranyl]Oxy]-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl Ester; (E)-3-[3-[5-[(E)-3-[[5-[2-(2,3-Dihydroxy-4-Keto-1-Methylol-Butoxy)-3,5-Dihydroxy-Tetrahydropyran-4-Yl]Oxy-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy]-3-Keto-Prop-1-Enyl]-2-Hydroxy-3-Methoxy-Phenyl]-4-Hydroxy-5-Methoxy-Phenyl]Acrylic Acid [5-[2-(2,3-Dihydroxy-4-Keto-1-Methylol-Butoxy)-3,5-Dihydroxy-Tetrahydropyran-4-Yl]Oxy-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Ester
• Molecular Formula: C₅₀H₆₆O₃₂
• Molecular Weight: 1179.05
• CAS Registry Number: 138935-21-4
• SMILES: C1=C(C=C(OC)C(=C1C2=C(O)C(=CC(=C2)\C=C\C(OCC4OC(OC3C(O)C(OCC3O)OC(C(O)C(O)C=O)CO)C(O)C4O)=O)OC)O)\C=C\C(OCC6OC(OC5C(O)C(OCC5O)OC(C(O)C(O)C=O)CO)C(O)C6O)=O
• InChI: 1S/C50H66O32/c1-71-27-9-19(3-5-33(59)73-17-31-39(65)41(67)49(79-31)81-45-25(57)15-75-47(43(45)69)77-29(13-53)37(63)23(55)11-51)7-21(35(27)61)22-8-20(10-28(72-2)36(22)62)4-6-34(60)74-18-32-40(66)42(68)50(80-32)82-46-26(58)16-76-48(44(46)70)78-30(14-54)38(64)24(56)12-52/h3-12,23-26,29-32,37-50,53-58,61-70H,13-18H2,1-2H3/b5-3+,6-4+
• InChIKey: ASJZDRUJXHTJJG-GGWOSOGESA-N

Properties

• Density: 1.692g/cm³ (Cal.)
• Boiling point: 1423.338°C at 760 mmHg (Cal.)
• Flash point: 399.311°C (Cal.)