Product Code
TRC-N389905
CAS Number
Product Format
Neat
Molecular Formula
C16 H18 O9
Molecular Weight
354.31
API Family
Chlorogenic AcidProduct Categories
Purity
>95% (HPLC)
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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
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat
API Family
Purity
>95% (HPLC)
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