Isochlorogenic Acid A
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Product Overview
Product Code
TRC-I789710
CAS Number
Product Format
Neat
Molecular Formula
C25 H24 O12
Molecular Weight
516.45
Product Categories
TRC, Phytochemical Reference Materials and Research Tools, Additional Neuro Products, Stress and Anxiety
Product Type
Bioactive Small MoleculePurity
>95% (HPLC)
Documentation
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Product Information
Chemical Data
Analyte Name
Isochlorogenic Acid A
CAS Number
2450-53-5
Molecular Formula
C25 H24 O12
Molecular Weight
516.45
Accurate Mass
516.1268
SMILES
O[C@@H]1[C@@H](C[C@](O)(C[C@H]1OC(=O)\C=C\c2ccc(O)c(O)c2)C(=O)O)OC(=O)\C=C\c3ccc(O)c(O)c3
InChI
InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1
IUPAC
(1R,3R,4S,5R)-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxycyclohexane-1-carboxylic acid
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
Bioactive Small Molecule
Product Format
Neat
Purity
>95% (HPLC)