(1R,3S,4R,5S)-1,3,4-Trihydroxy-5-[(E)-3-(4-Hydroxyphenyl)Prop-2-Enoyl]Oxy-Cyclohexane-1-Carboxylic Acid
[CAS# 5746-55-4]

Identification

• Name: (1R,3S,4R,5S)-1,3,4-Trihydroxy-5-[(E)-3-(4-Hydroxyphenyl)Prop-2-Enoyl]Oxy-Cyclohexane-1-Carboxylic Acid
• Synonyms: (1S,3S,4S,5S)-1,3,4-Trihydroxy-5-[(E)-3-(4-Hydroxyphenyl)Prop-2-Enoyl]Oxy-Cyclohexane-1-Carboxylic Acid; (1S,3S,4S,5S)-1,3,4-Trihydroxy-5-[(E)-3-(4-Hydroxyphenyl)-1-Oxoprop-2-Enoxy]-1-Cyclohexanecarboxylic Acid; (1S,3S,4S,5S)-1,3,4-Trihydroxy-5-[(E)-3-(4-Hydroxyphenyl)Acryloyl]Oxy-Cyclohexane-1-Carboxylic Acid
• Molecular Formula: C₁₆H₁₈O₈
• Molecular Weight: 338.31
• CAS Registry Number: 5746-55-4
• SMILES: [C@]1(C[C@@H]([C@H]([C@H](C1)O)O)OC(\C=C\C2=CC=C(C=C2)O)=O)(C(=O)O)O
• InChI: 1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16-/m0/s1
• InChIKey: BMRSEYFENKXDIS-MDMPXHNCSA-N

Properties

• Density: 1.554g/cm³ (Cal.)
• Boiling point: 613.229°C at 760 mmHg (Cal.)
• Flash point: 227.021°C (Cal.)