Neochlorogenic acid

CAS: 906-33-2

Ref. 11-4961S

Product Information

• Name: Neochlorogenic acid
• Synonyms: 5-O-Caffeoyl quinic acid, (1R,3R,4S,5R)-3-[[(2E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid, (1R,3R,4S,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexanecarboxylic acid, (E)-Neochlorogenic acid, 3-O-(E)-Caffeoylquinic acid, 3-trans-O-Caffeoylquinic acid, 3-{[3-(3,4-Dihydroxyphenyl)Acryloyl]Oxy}-1,4,5-Trihydroxycyclohexanecarboxylic Acid, 5-(E)-Caffeoylquinic acid, 5-Caffeoylquinic acid, 5-O-Caffeolyquinic acid, 5-O-Caffeoylquinic acid, 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)-, Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, [1R-[1α,3α(E),4α,5β]]-, trans-5-O-Caffeoylquinic acid

Description

Neochlorogenic acid analytical standard provided with w/w absolute assay, to be used for quantitative titration.

• Brand: Extrasynthese

Chemical properties

• Molecular weight: 354.31
• Formula: C₁₆H₁₈O₉
• Purity: (HPLC) ≥99%
• Color/Form: Powder
• 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: InChIKey=CWVRJTMFETXNAD-NXLLHMKUSA-N
• SMILES: O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O