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(-)-Citrinin-[13C,d2]

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General Information
Catalog: BLP-012960
CAS: 1329611-85-9
Molecular Formula: C12[13C]H12D2O5
Molecular Weight: 253.25

Chemical Structure

Description	(-)-Citrinin-[13C,d2] is the labelled analogue of (-)-Citrinin, which is produced by the strain of Penicillum citrinum.
Synonyms	(-)-Citrinin-13C,D2; (3R,4S)-4,6-Dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3H-2-benzopyran-7-carboxylic Acid-13C,d2; (3R-trans)-4,6-Dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3H-2-benzopyran-7-carboxylic Acid-13C,d2; Citrinin-13C,d2; NSC 186-13C,d2
IUPAC Name	(3R,4S)-5-(dideuteriomethyl)-6-hydroxy-3,4-dimethyl-8-oxo-3,4-dihydroisochromene-7-carboxylic acid-13C
Related CAS	518-75-2 (unlabelled)
Canonical SMILES	CC1C(OC=C2C1=C(C(=C(C2=O)C(=O)O)O)C)C
InChI	InChI=1S/C13H14O5/c1-5-7(3)18-4-8-9(5)6(2)11(14)10(12(8)15)13(16)17/h4-5,7,14H,1-3H3,(H,16,17)/t5-,7-/m1/s1/i2D2,13+1
InChI Key	CBGDIJWINPWWJW-KATPSUFFSA-N
Purity	>95%
Solubility	Soluble in DMSO (Slightly), Dichloromethane (Slightly), Ethanol (Slightly, Sonicated)
Appearance	Light Yellow to Orange Solid
Storage	Store at -20°C under inert atmosphere