[(2S,3R,4S,5R,6R)-6-[[(2R,3R,4S,5R,6S)-6-[5,7-Dihydroxy-2-(4-Hydroxy-3-Methoxyphenyl)-4-Oxochromen-3-Yl]Oxy-3,4,5-Trihydroxyoxan-2-Yl]Methoxy]-4,5-Dihydroxy-2-Methyloxan-3-Yl] (E)-3-(4-Hydroxyphenyl)Prop-2-Enoate
[CAS# 128533-13-1]

Identification

• Name: [(2S,3R,4S,5R,6R)-6-[[(2R,3R,4S,5R,6S)-6-[5,7-Dihydroxy-2-(4-Hydroxy-3-Methoxyphenyl)-4-Oxochromen-3-Yl]Oxy-3,4,5-Trihydroxyoxan-2-Yl]Methoxy]-4,5-Dihydroxy-2-Methyloxan-3-Yl] (E)-3-(4-Hydroxyphenyl)Prop-2-Enoate
• Synonyms: [(2S,3R,4S,5R,6R)-6-[[(2R,3R,4S,5R,6S)-6-[5,7-Dihydroxy-2-(4-Hydroxy-3-Methoxy-Phenyl)-4-Oxo-Chromen-3-Yl]Oxy-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl]Methoxy]-4,5-Dihydroxy-2-Methyl-Tetrahydropyran-3-Yl] (E)-3-(4-Hydroxyphenyl)Prop-2-Enoate; (E)-3-(4-Hydroxyphenyl)Prop-2-Enoic Acid [(2S,3R,4S,5R,6R)-6-[[(2R,3R,4S,5R,6S)-6-[[5,7-Dihydroxy-2-(4-Hydroxy-3-Methoxyphenyl)-4-Oxo-3-Chromenyl]Oxy]-3,4,5-Trihydroxy-2-Tetrahydropyranyl]Methoxy]-4,5-Dihydroxy-2-Methyl-3-Tetrahydropyranyl] Ester; (E)-3-(4-Hydroxyphenyl)Acrylic Acid [(2S,3R,4S,5R,6R)-6-[[(2R,3R,4S,5R,6S)-6-[5,7-Dihydroxy-2-(4-Hydroxy-3-Methoxy-Phenyl)-4-Keto-Chromen-3-Yl]Oxy-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl]Methoxy]-4,5-Dihydroxy-2-Methyl-Tetrahydropyran-3-Yl] Ester
• Molecular Formula: C₃₇H₃₈O₁₈
• Molecular Weight: 770.70
• CAS Registry Number: 128533-13-1
• SMILES: [C@@H]4(OC1=C(OC2=C(C1=O)C(=CC(=C2)O)O)C3=CC=C(O)C(=C3)OC)O[C@@H]([C@H](O)[C@H](O)[C@H]4O)CO[C@@H]6O[C@H]([C@H](OC(=O)\C=C\C5=CC=C(O)C=C5)[C@@H](O)[C@H]6O)C
• InChI: 1S/C37H38O18/c1-15-33(54-25(42)10-5-16-3-7-18(38)8-4-16)30(46)32(48)36(51-15)50-14-24-27(43)29(45)31(47)37(53-24)55-35-28(44)26-21(41)12-19(39)13-23(26)52-34(35)17-6-9-20(40)22(11-17)49-2/h3-13,15,24,27,29-33,36-41,43,45-48H,14H2,1-2H3/b10-5+/t15-,24+,27-,29-,30-,31+,32+,33-,36+,37-/m0/s1
• InChIKey: BRALEKVBUFQYGS-HLYLUYEOSA-N

Properties

• Density: 1.674g/cm³ (Cal.)
• Boiling point: 1052.206°C at 760 mmHg (Cal.)
• Flash point: 327.085°C (Cal.)