Product Code

TRC-I789700

CAS Number

14534-61-3

Product Format

Neat

Molecular Formula

C25 H24 O12

Molecular Weight

516.45

API Family

Chlorogenic Acid

Product Categories

TRC, Additional pharmaceutical toxicology reference materials, Phytochemical Reference Materials and Research Tools

Product Type

Bioactive Small Molecule

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

Isochlorogenic acid

CAS Number

14534-61-3

Molecular Formula

C25 H24 O12

Molecular Weight

516.45

Accurate Mass

516.1268

SMILES

O[C@@H]1C[C@@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1OC(=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(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25-/m1/s1

IUPAC

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

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Chlorogenic Acid

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Isochlorogenic Acid B (>85%)

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