[(3R,4R,5R,6S)-4,5-Dihydroxy-6-[(2R,3R,4S,5R)-2,3,4,5-Tetrahydroxy-6-Oxohexoxy]Oxan-3-Yl] (E)-3-(4-Hydroxy-3-Methoxyphenyl)Prop-2-Enoate
[CAS# 129724-46-5]

Identification

• Name: [(3R,4R,5R,6S)-4,5-Dihydroxy-6-[(2R,3R,4S,5R)-2,3,4,5-Tetrahydroxy-6-Oxohexoxy]Oxan-3-Yl] (E)-3-(4-Hydroxy-3-Methoxyphenyl)Prop-2-Enoate
• Synonyms: [(3R,4R,5R,6S)-4,5-Dihydroxy-6-[(2R,3R,4S,5R)-2,3,4,5-Tetrahydroxy-6-Oxo-Hexoxy]Tetrahydropyran-3-Yl] (E)-3-(4-Hydroxy-3-Methoxy-Phenyl)Prop-2-Enoate; (E)-3-(4-Hydroxy-3-Methoxyphenyl)Prop-2-Enoic Acid [(3R,4R,5R,6S)-4,5-Dihydroxy-6-[(2R,3R,4S,5R)-2,3,4,5-Tetrahydroxy-6-Oxohexoxy]-3-Tetrahydropyranyl] Ester; (E)-3-(4-Hydroxy-3-Methoxy-Phenyl)Acrylic Acid [(3R,4R,5R,6S)-4,5-Dihydroxy-6-[(2R,3R,4S,5R)-2,3,4,5-Tetrahydroxy-6-Keto-Hexoxy]Tetrahydropyran-3-Yl] Ester
• Molecular Formula: C₂₁H₂₈O₁₃
• Molecular Weight: 488.44
• CAS Registry Number: 129724-46-5
• SMILES: [C@@H](C=O)(O)[C@@H](O)[C@H](O)[C@H](O)CO[C@@H]2[C@H](O)[C@@H](O)[C@H](OC(\C=C\C1=CC=C(C(=C1)OC)O)=O)CO2
• InChI: 1S/C21H28O13/c1-31-14-6-10(2-4-11(14)23)3-5-16(26)34-15-9-33-21(20(30)19(15)29)32-8-13(25)18(28)17(27)12(24)7-22/h2-7,12-13,15,17-21,23-25,27-30H,8-9H2,1H3/b5-3+/t12-,13+,15+,17+,18+,19-,20+,21-/m0/s1
• InChIKey: FOBCQSVMKGAIJG-AJHJGYGNSA-N

Properties

• Density: 1.559g/cm³ (Cal.)
• Boiling point: 838.706°C at 760 mmHg (Cal.)
• Flash point: 288.307°C (Cal.)