Chlorogenic Acid

• CAS Number :

  327-97-9

• Synonyms :

  (1S,3R,4R,5R)-3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,4,5-trihydroxy-Cyclohexanecarboxylic acid; Chlorogenic acid (8CI); Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, (1S,3R,4R,5R)- (9CI); Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, [1S-(1α,3β,4α,5α)]-; 3-(3,4-Dihydroxycinnamoyl)quinic acid; 3-Caffeoylquinic acid; 3-O-(3,4-Dihydroxycinnamoyl)-D-quinic acid; 3-O-Caffeoylquinic acid; Heriguard; NSC 407296; NSC 70861; Caffeoylquinic acid; SW 85834

• Hazard Statement :

  No Data Available

• Purity :

  >95% (HPLC)

• Smiles :

  O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1O)C(=O)O

• Molecular Formula :

  C16 H18 O9

• Molecular Weight :

  354.31

• 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

• Additionnal Information :

  IUPAC name: (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid

• Shipping Conditions :

  Room Temperature

• Storage Conditions :

  +4°C