(1S,3S,4S,5S)-3-[(E)-3-(3,4-Dihydroxyphenyl)Prop-2-Enoyl]Oxy-1,5-Dihydroxy-4-[(E)-3-(4-Hydroxy-3,5-Dimethoxyphenyl)Prop-2-Enoyl]Oxycyclohexane-1-Carboxylic Acid
[CAS# 110241-35-5]

Identification

• Name: (1S,3S,4S,5S)-3-[(E)-3-(3,4-Dihydroxyphenyl)Prop-2-Enoyl]Oxy-1,5-Dihydroxy-4-[(E)-3-(4-Hydroxy-3,5-Dimethoxyphenyl)Prop-2-Enoyl]Oxycyclohexane-1-Carboxylic Acid
• Synonyms: (1S,3S,4S,5S)-3-[(E)-3-(3,4-Dihydroxyphenyl)Prop-2-Enoyl]Oxy-1,5-Dihydroxy-4-[(E)-3-(4-Hydroxy-3,5-Dimethoxy-Phenyl)Prop-2-Enoyl]Oxy-Cyclohexane-1-Carboxylic Acid; (1S,3S,4S,5S)-3-[(E)-3-(3,4-Dihydroxyphenyl)-1-Oxoprop-2-Enoxy]-1,5-Dihydroxy-4-[(E)-3-(4-Hydroxy-3,5-Dimethoxyphenyl)-1-Oxoprop-2-Enoxy]-1-Cyclohexanecarboxylic Acid; (1S,3S,4S,5S)-3-[(E)-3-(3,4-Dihydroxyphenyl)Acryloyl]Oxy-1,5-Dihydroxy-4-[(E)-3-(4-Hydroxy-3,5-Dimethoxy-Phenyl)Acryloyl]Oxy-Cyclohexane-1-Carboxylic Acid
• Molecular Formula: C₂₇H₂₈O₁₃
• Molecular Weight: 560.51
• CAS Registry Number: 110241-35-5
• SMILES: [C@]3(O)(C[C@H](OC(=O)\C=C\C1=CC=C(O)C(=C1)O)[C@@H](OC(=O)\C=C\C2=CC(=C(O)C(=C2)OC)OC)[C@@H](O)C3)C(=O)O
• InChI: 1S/C27H28O13/c1-37-19-10-15(11-20(38-2)24(19)33)5-8-23(32)40-25-18(30)12-27(36,26(34)35)13-21(25)39-22(31)7-4-14-3-6-16(28)17(29)9-14/h3-11,18,21,25,28-30,33,36H,12-13H2,1-2H3,(H,34,35)/b7-4+,8-5+/t18-,21-,25-,27-/m0/s1
• InChIKey: BEDSGEULUAVXQH-UEMFYZCUSA-N

Properties

• Density: 1.556g/cm³ (Cal.)
• Boiling point: 801.468°C at 760 mmHg (Cal.)
• Flash point: 265.173°C (Cal.)