Chlorogenic Acid

• CAS: 327-97-9
• Catalog Number: ACM327979-1
• Category: Inhibitors
• Molecular Weight: 354.31
• Molecular Formula: C16H18O9
• Description: Chlorogenic acid is a major phenolic compound in Lonicera japonica Thunb.. It plays several important and therapeutic roles such as antioxidant activity, antibacterial, hepatoprotective, cardioprotective, anti-inflammatory, antipyretic, neuroprotective, anti-obesity, antiviral, anti-microbial, anti-hypertension.
• Synonyms: Heriguard
• IUPAC Name: (1S,3R,4R,5R)-3-[(E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid
• Canonical SMILES: C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O
• InChI: InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1
• InChI Key: CWVRJTMFETXNAD-JUHZACGLSA-N
• Boiling Point: 407.55 °C
• Melting Point: 210 °C(lit.)
• Flash Point: 245.5 °C
• Density: 1.3594 g/cm³
• Solubility: Soluble in ethanol, acetone
• Appearance: Solid
• Storage: 2-8 °C
• Active Content: 95%
• Assay: 0.98
• Complexity: 534
• Exact Mass: 354.09508215
• Isomeric SMILES: C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O
• Monoisotopic Mass: 354.09508215
• Packaging: 1 kg
• Physical State: Solid
• pKa: 3.91±0.50(Predicted)
• Refractive Index: -37 ° (C=1, H₂O)
• Shipping: Can be shipped at room temperature, where not in use may vary.
• Source: PlantsCaprifoliaceaeLonicera japonica Thunb.
• Stability: Stable under normal temperatures and pressures.
• Storage Conditions: 0-6°C
• Topological Polar Surface Area: 165 Ų

Synthetic Use

Upstream Synthesis Route 1

• 342811-68-1

• 327-97-9

Reference: [1] Journal of Agricultural and Food Chemistry, 2007, vol. 55, # 26, p. 10605 - 10614

Upstream Synthesis Route 2

• 202650-88-2

• 327-97-9
• 905-99-7

Reference: [1]Journal of Mass Spectrometry,1996,vol. 31,p. 602 - 608
[2]Journal of Agricultural and Food Chemistry,2003,vol. 51,p. 496 - 501