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Caffeic Acid-[13C3]

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General Information
Catalog: BLP-011824
CAS: 1185245-82-2
Molecular Formula: C6[13C]3H8O4
Molecular Weight: 183.14

Chemical Structure

Description	Caffeic Acid-[13C3] is the labelled analogue of Caffeic acid. Caffeic Acid is an orally bioavailable, hydroxycinnamic acid derivative and polyphenol, with potential anti-oxidant, anti-inflammatory, and antineoplastic activities. Upon administration, caffeic acid acts as an antioxidant and prevents oxidative stress, thereby preventing DNA damage induced by free radicals.
Synonyms	Caffeic Acid-13C3; 3-(3,4-Dihydroxyphenyl)-2-propenoic Acid-13C3; 3,4-Dihydroxycinnamic Acid-13C3; 3,4-Dihydroxybenzeneacrylic Acid-13C3; 4-(2-Carboxyethenyl)-1,2-dihydroxybenzene-13C3; NSC 57197-13C3
IUPAC Name	(E)-3-(3,4-dihydroxyphenyl)(1,2,3-13C3)prop-2-enoic acid
Related CAS	331-39-5 (unlabelled)
Canonical SMILES	C1=CC(=C(C=C1[13CH]=[13CH][13C](=O)O)O)O
InChI	InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+/i2+1,4+1,9+1
InChI Key	QAIPRVGONGVQAS-JDWYZSDHSA-N
Melting Point	>185°C (dec.)
Purity	≥97% by HPLC; ≥99% atom 13C
Solubility	Soluble in DMSO (Sparingly), Methanol (Slightly)
Appearance	Dark Grey to Very Dark Brown Solid
Storage	Store at -20°C under inert atmosphere