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
Purity
>95% (HPLC)
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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
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat
Purity
>95% (HPLC)
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