[(2R,3R,4S,5S)-4-Hydroxy-5-(Hydroxymethyl)-2-[(2S,3S,4R)-2,3,4-Trihydroxy-5-Oxopentoxy]Oxolan-3-Yl] (E)-3-(4-Hydroxy-3-Methoxyphenyl)Prop-2-Enoate
[CAS# 152040-94-3]

Identification

• Name: [(2R,3R,4S,5S)-4-Hydroxy-5-(Hydroxymethyl)-2-[(2S,3S,4R)-2,3,4-Trihydroxy-5-Oxopentoxy]Oxolan-3-Yl] (E)-3-(4-Hydroxy-3-Methoxyphenyl)Prop-2-Enoate
• Synonyms: [(2R,3R,4S,5S)-4-Hydroxy-5-(Hydroxymethyl)-2-[(2S,3S,4R)-2,3,4-Trihydroxy-5-Oxo-Pentoxy]Tetrahydrofuran-3-Yl] (E)-3-(4-Hydroxy-3-Methoxy-Phenyl)Prop-2-Enoate; (E)-3-(4-Hydroxy-3-Methoxyphenyl)Prop-2-Enoic Acid [(2R,3R,4S,5S)-4-Hydroxy-5-(Hydroxymethyl)-2-[(2S,3S,4R)-2,3,4-Trihydroxy-5-Oxopentoxy]-3-Tetrahydrofuranyl] Ester; (E)-3-(4-Hydroxy-3-Methoxy-Phenyl)Acrylic Acid [(2R,3R,4S,5S)-4-Hydroxy-5-Methylol-2-[(2S,3S,4R)-2,3,4-Trihydroxy-5-Keto-Pentoxy]Tetrahydrofuran-3-Yl] Ester
• Molecular Formula: C₂₀H₂₆O₁₂
• Molecular Weight: 458.42
• CAS Registry Number: 152040-94-3
• SMILES: [C@@H](C=O)(O)[C@@H](O)[C@@H](O)CO[C@H]2[C@H](OC(\C=C\C1=CC=C(C(=C1)OC)O)=O)[C@@H](O)[C@@H](O2)CO
• InChI: 1S/C20H26O12/c1-29-14-6-10(2-4-11(14)23)3-5-16(26)32-19-18(28)15(8-22)31-20(19)30-9-13(25)17(27)12(24)7-21/h2-7,12-13,15,17-20,22-25,27-28H,8-9H2,1H3/b5-3+/t12-,13-,15-,17+,18-,19+,20+/m0/s1
• InChIKey: HXNNAMNAGKCHPV-JWIFHMNOSA-N

Properties

• Density: 1.531g/cm³ (Cal.)
• Boiling point: 765.302°C at 760 mmHg (Cal.)
• Flash point: 266.351°C (Cal.)