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Mycophenolic acid-[13C,d3]

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General Information
Catalog: BLP-012894
CAS: 1261432-16-9
Molecular Formula: C16[13C]H17D3O6
Molecular Weight: 324.35

Chemical Structure

Description	Mycophenolic acid-[13C,d3] is the labelled analogue of Mycophenolic acid, which is an antibiotic produced by Penicillium brevi-compactum, P. Stoloniferum and related spp.
Synonyms	Mycophenolic Acid-13C,d3; (E)-6-(4-Hydroxy-6-(methoxy-13C-d3)-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enoic Acid
IUPAC Name	(E)-6-[4-hydroxy-7-methyl-3-oxo-6-(trideuterio(1-13C)methoxy)-1H-2-benzofuran-5-yl]-4-methylhex-4-enoic acid
Related CAS	24280-93-1 (unlabelled)
Canonical SMILES	CC1=C2COC(=O)C2=C(C(=C1OC)CC=C(C)CCC(=O)O)O
InChI	InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+/i3+1D3
InChI Key	HPNSFSBZBAHARI-BFLRBCGBSA-N
Melting Point	140-143°C
Purity	≥98%; ≥98% atom 13C; ≥98% atom D
Solubility	Soluble in Acetonitrile (Slightly), Methanol (Slightly)
Appearance	White to Off-white Solid
Storage	Store at -20°C under inert atmosphere