[(2R,3R,4R,5R,6R)-6-[(2S)-2-(3,4-Dihydroxyphenyl)-2-Hydroxyethoxy]-5-Hydroxy-2-(Hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyoxan-3-Yl] (E)-3-(3,4-Dihydroxyphenyl)Prop-2-Enoate
[CAS# 132278-04-7]

Identification

• Name: [(2R,3R,4R,5R,6R)-6-[(2S)-2-(3,4-Dihydroxyphenyl)-2-Hydroxyethoxy]-5-Hydroxy-2-(Hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyoxan-3-Yl] (E)-3-(3,4-Dihydroxyphenyl)Prop-2-Enoate
• Synonyms: [(2R,3R,4R,5R,6R)-6-[(2S)-2-(3,4-Dihydroxyphenyl)-2-Hydroxy-Ethoxy]-5-Hydroxy-2-(Hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-3-Yl] (E)-3-(3,4-Dihydroxyphenyl)Prop-2-Enoate; (E)-3-(3,4-Dihydroxyphenyl)Prop-2-Enoic Acid [(2R,3R,4R,5R,6R)-6-[(2S)-2-(3,4-Dihydroxyphenyl)-2-Hydroxyethoxy]-5-Hydroxy-2-(Hydroxymethyl)-4-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-3-Tetrahydropyranyl] Ester; (E)-3-(3,4-Dihydroxyphenyl)Acrylic Acid [(2R,3R,4R,5R,6R)-6-[(2S)-2-(3,4-Dihydroxyphenyl)-2-Hydroxy-Ethoxy]-5-Hydroxy-2-Methylol-4-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-3-Yl] Ester
• Molecular Formula: C₂₉H₃₆O₁₇
• Molecular Weight: 656.59
• CAS Registry Number: 132278-04-7
• SMILES: [C@@H]1([C@@H]([C@@H](CO)O[C@H]([C@@H]1O)OC[C@H](C2=CC(=C(C=C2)O)O)O)OC(/C=C/C3=CC(=C(C=C3)O)O)=O)O[C@H]4[C@@H]([C@@H](O)[C@@H]([C@H](O4)CO)O)O
• InChI: 1S/C29H36O17/c30-9-19-22(38)23(39)24(40)29(43-19)46-27-25(41)28(42-11-18(36)13-3-5-15(33)17(35)8-13)44-20(10-31)26(27)45-21(37)6-2-12-1-4-14(32)16(34)7-12/h1-8,18-20,22-36,38-41H,9-11H2/b6-2+/t18-,19-,20-,22-,23+,24-,25-,26-,27-,28-,29+/m1/s1
• InChIKey: IKASMYQBXBUEQS-AEAUTZEXSA-N

Properties

• Density: 1.712g/cm³ (Cal.)
• Boiling point: 1004.083°C at 760 mmHg (Cal.)
• Flash point: 324.205°C (Cal.)