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Chlorogenic Acid-[13C6]

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General Information
Catalog: BLP-002224
CAS: 1323443-06-6
Molecular Formula: C10[13C]6H18O9
Molecular Weight: 360.26

Chemical Structure

Description	Chlorogenic Acid-[13C6], is the labelled analogue of Chlorogenic Acid. Chlorogenic acid exhibits an anti-inflammatory effect, and reduce blood pressure.
Synonyms	(1S,3R,4R,5R)-3-[[3-[3,4-Dihydroxy(phenyl-13C6)]-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic Acid; 3-(3,4-Dihydroxycinnamoyl)quinic Acid-13C6; 3-Caffeoylquinic Acid-13C6; 3-O-(3,4-Dihydroxycinnamoyl)-D-quinic Acid-13C6; Chlorogenic Acid-13C6; [U-Ring-13C6]-Chlorogenic acid
IUPAC Name	(1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid
Related CAS	327-97-9 (unlabelled)
Canonical SMILES	C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)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/i1+1,3+1,5+1,8+1,9+1,10+1
InChI Key	CWVRJTMFETXNAD-WKFUDWLESA-N
Purity	> 98%
Solubility	Soluble in Chloroform, Dichloromethane, DMSO
Appearance	Powder
Storage	Store at 2-8°C