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Product Overview

Product Code

TRC-N389905

CAS Number

906-33-2

Product Format

Neat

Molecular Formula

C16 H18 O9

Molecular Weight

354.31

API Family

Neochlorogenic Acid

Product Categories

TRC, Pharmaceutical Toxicology Reference Materials , Natural Products

Product Type

Impurity, Bioactive Small Molecule, API

Purity

>95% (HPLC)

Documentation

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Product Information

Chemical Data

Analyte Name

(E)-Neochlorogenic Acid

CAS Number

906-33-2

Molecular Formula

C16 H18 O9

Molecular Weight

354.31

Accurate Mass

354.0951

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

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

IUPAC

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

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Neochlorogenic Acid

Purity

>95% (HPLC)

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