[(2R,3R,4R,5R,6R)-4-[(2S,3R,4R,5R,6S)-4,5-Dihydroxy-6-Methyl-3-[(2S,3R,4S,5R)-3,4,5-Trihydroxyoxan-2-Yl]Oxyoxan-2-Yl]Oxy-6-[2-(3,4-Dihydroxyphenyl)Ethoxy]-5-Hydroxy-2-(Hydroxymethyl)Oxan-3-Yl] (E)-3-(4-Hydroxy-3-Methoxyphenyl)Prop-2-Enoate
[CAS# 137625-06-0]

Identification

• Name: [(2R,3R,4R,5R,6R)-4-[(2S,3R,4R,5R,6S)-4,5-Dihydroxy-6-Methyl-3-[(2S,3R,4S,5R)-3,4,5-Trihydroxyoxan-2-Yl]Oxyoxan-2-Yl]Oxy-6-[2-(3,4-Dihydroxyphenyl)Ethoxy]-5-Hydroxy-2-(Hydroxymethyl)Oxan-3-Yl] (E)-3-(4-Hydroxy-3-Methoxyphenyl)Prop-2-Enoate
• Synonyms: [(2R,3R,4R,5R,6R)-4-[(2S,3R,4R,5R,6S)-4,5-Dihydroxy-6-Methyl-3-[(2S,3R,4S,5R)-3,4,5-Trihydroxytetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-6-[2-(3,4-Dihydroxyphenyl)Ethoxy]-5-Hydroxy-2-(Hydroxymethyl)Tetrahydropyran-3-Yl] (E)-3-(4-Hydroxy-3-Methoxy-Phenyl)Prop-2-Enoate; (E)-3-(4-Hydroxy-3-Methoxyphenyl)Prop-2-Enoic Acid [(2R,3R,4R,5R,6R)-4-[[(2S,3R,4R,5R,6S)-4,5-Dihydroxy-6-Methyl-3-[[(2S,3R,4S,5R)-3,4,5-Trihydroxy-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxy]-6-[2-(3,4-Dihydroxyphenyl)Ethoxy]-5-Hydroxy-2-(Hydroxymethyl)-3-Tetrahydropyranyl] Ester; (E)-3-(4-Hydroxy-3-Methoxy-Phenyl)Acrylic Acid [(2R,3R,4R,5R,6R)-4-[(2S,3R,4R,5R,6S)-4,5-Dihydroxy-6-Methyl-3-[(2S,3R,4S,5R)-3,4,5-Trihydroxytetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-6-[2-(3,4-Dihydroxyphenyl)Ethoxy]-5-Hydroxy-2-Methylol-Tetrahydropyran-3-Yl] Ester
• Molecular Formula: C₃₅H₄₆O₁₉
• Molecular Weight: 770.74
• CAS Registry Number: 137625-06-0
• SMILES: [C@@H]1([C@@H]([C@@H](CO)O[C@H]([C@@H]1O)OCCC2=CC=C(O)C(=C2)O)OC(/C=C/C3=CC(=C(C=C3)O)OC)=O)O[C@H]4[C@@H]([C@H](O)[C@H]([C@@H](O4)C)O)O[C@H]5[C@@H]([C@@H](O)[C@@H](CO5)O)O
• InChI: 1S/C35H46O19/c1-15-25(42)27(44)32(54-33-28(45)26(43)21(40)14-49-33)35(50-15)53-31-29(46)34(48-10-9-17-3-6-18(37)20(39)11-17)51-23(13-36)30(31)52-24(41)8-5-16-4-7-19(38)22(12-16)47-2/h3-8,11-12,15,21,23,25-40,42-46H,9-10,13-14H2,1-2H3/b8-5+/t15-,21+,23+,25-,26-,27+,28+,29+,30+,31+,32+,33-,34+,35-/m0/s1
• InChIKey: ZPJGTPAAEPXBQT-HNYHMTNLSA-N

Properties

• Density: 1.595g/cm³ (Cal.)
• Boiling point: 1007.517°C at 760 mmHg (Cal.)
• Flash point: 311.094°C (Cal.)