[(1R,6S,7S,8R,9R)-4-(3,4-Dihydroxyphenyl)-9-(Hydroxymethyl)-7-[(2S,3R,4R,5S,6S)-3,4,5-Trihydroxy-6-Methyl-Oxan-2-Yl]Oxy-2,5,10-Trioxabicyclo[4.4.0]Dec-8-Yl] (E)-3-(3,4-Dihydroxyphenyl)Prop-2-Enoate
[CAS# 61276-16-2]

Identification

• Name: [(1R,6S,7S,8R,9R)-4-(3,4-Dihydroxyphenyl)-9-(Hydroxymethyl)-7-[(2S,3R,4R,5S,6S)-3,4,5-Trihydroxy-6-Methyl-Oxan-2-Yl]Oxy-2,5,10-Trioxabicyclo[4.4.0]Dec-8-Yl] (E)-3-(3,4-Dihydroxyphenyl)Prop-2-Enoate
• Synonyms: [(2R,3S,4S,5R,6R)-6-[(2S)-2-(3,4-Dihydroxyphenyl)-2-Hydroxy-Ethoxy]-4-Hydroxy-2-(Hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-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,3S,4S,5R,6R)-6-[(2S)-2-(3,4-Dihydroxyphenyl)-2-Hydroxyethoxy]-4-Hydroxy-2-(Hydroxymethyl)-5-[[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-3-Tetrahydropyranyl] Ester; (E)-3-(3,4-Dihydroxyphenyl)Acrylic Acid [(2R,3S,4S,5R,6R)-6-[(2S)-2-(3,4-Dihydroxyphenyl)-2-Hydroxy-Ethoxy]-4-Hydroxy-2-Methylol-5-[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-3-Yl] Ester
• Molecular Formula: C₂₉H₃₆O₁₆
• Molecular Weight: 640.59
• CAS Registry Number: 61276-16-2
• SMILES: [C@@H]3(O[C@@H]1O[C@H]([C@H](O)[C@@H](O)[C@H]1O)C)[C@@H](O)[C@H](OC(=O)\C=C\C2=CC(=C(O)C=C2)O)[C@H](O[C@H]3OC[C@@H](O)C4=CC(=C(O)C=C4)O)CO
• InChI: 1S/C29H36O16/c1-12-22(37)23(38)24(39)28(42-12)45-27-25(40)26(44-21(36)7-3-13-2-5-15(31)17(33)8-13)20(10-30)43-29(27)41-11-19(35)14-4-6-16(32)18(34)9-14/h2-9,12,19-20,22-35,37-40H,10-11H2,1H3/b7-3+/t12-,19+,20+,22-,23+,24+,25-,26+,27+,28-,29+/m0/s1
• InChIKey: PZTVNHKDWVHORF-FMEUUFJCSA-N

Properties

• Density: 1.658g/cm³ (Cal.)
• Boiling point: 965.603°C at 760 mmHg (Cal.)
• Flash point: 312.63°C (Cal.)