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Chlorogenic acid

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CATAPS327979
CAS327-97-9
Structure
MDL NumberMFCD00003862
SynonymsCyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, [1S-(1α,3β,4α,5α)]-, 3-O-Caffeoylquinic acid, Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, (1S,3R,4R,5R)- (9CI), 3-(3,4-Dihydroxycinnamoyl)quinic acid, 3-O-(3,4-Dihydroxycinnamoyl)-D-quinic acid,(1S,3R,4R,5R)-3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,4,5-trihydroxy-Cyclohexanecarboxylic acid, NSC 407296, Chlorogenic acid (8CI), 3-Caffeoylquinic acid, Heriguard, NSC 70861
IUPAC Name(1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid
Molecular Weight354.31
Molecular FormulaC16H18O9
Canonical SMILESO[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1O)C(=O)O
InChIInChI=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
InChI KeyCWVRJTMFETXNAD-JUHZACGLSA-N
DescriptionUnited States Pharmacopeia (USP) Reference Standard
Accurate Mass354.0951
FormatNeat
MP210 °C (dec.) (lit.)
Size50MG
  • Verification code
CATSizeShippingStorage ConditionsDescription
APS327979-100MG 100MG Room Temperature +4°C Subcategory: Nutritional composition compounds Inquiry
APS327979-25MG 25MG Room Temperature 2-8°C Fridge/Coldroom API Family: Matrix - API Family See respective official monograph(s); Product Type: API; Subcategory: European Pharmacopoeia (Ph. Eur.) Inquiry
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