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Product Overview

Product Code

TRC-C991475

CAS Number

30964-13-7

Product Format

Neat

Molecular Formula

C25 H24 O12

Molecular Weight

516.45

API Family

Cynarin

Product Categories

TRC, Pharmaceutical Toxicology Reference Materials

Product Type

Bioactive Small Molecule, API

Purity

>95% (HPLC)

Documentation

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Product Information

Chemical Data

Analyte Name

Cynarin (1,3-Dicaffeoylquinic Acid)

CAS Number

30964-13-7

Molecular Formula

C25 H24 O12

Molecular Weight

516.45

Accurate Mass

516.1268

SMILES

O[C@@H]1C[C@](C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H]1O)(OC(=O)\C=C\c3ccc(O)c(O)c3)C(=O)O

InChI

InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)/b7-3+,8-4+/t19-,20-,23+,25-/m1/s1

IUPAC

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

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Cynarin

Purity

>95% (HPLC)

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Cynarin

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