(E)-Neochlorogenic Acid

• Synonyms:

  Cyclohexanecarboxylic acid, 3-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,4,5-trihydroxy-, (1R,3R,4S,5R)-; Cyclohexanecarboxylic acid, 3-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, (1R,3R,4S,5R)- (9CI); Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, [1R-[1alpha,3alpha(E),4alpha,5beta]]-; Neochlorogenic acid (6CI,8CI); (1R,3R,4S,5R)-3-[[(2E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; (E)-Neochlorogenic acid; 3-O-(E)-Caffeoylquinic acid; 5-(E)-Caffeoylquinic acid; 5-Caffeoylquinic acid; 5-O-Caffeolyquinic acid; 5-O-Caffeoylquinic acid; trans-5-O-Caffeoylquinic acid

• Hazard Statement:

  Causes skin irritation

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

• Shipping Conditions:

  Room Temperature

• Storage Conditions:

  -20°C

• CAS Number:

  906-33-2