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Aflatoxin B1-[13C17]

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General Information
Catalog: BLP-012194
CAS: 1217449-45-0
Molecular Formula: [13C]17H12O6
Molecular Weight: 329.15

Chemical Structure

Description	Aflatoxin B1-[13C17] is the labelled analogue of Aflatoxin B1, which is an aflatoxin produced by Aspergillus flavus and A. parasiticus.
Synonyms	Aflatoxin B1-13C17
IUPAC Name	(3S,7R)-11-(1-13C)methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaene-16,18-dione
Related CAS	1162-65-8 (unlabelled)
Isomeric SMILES	[13CH3]O[13C]1=[13C]2[13C]3=[13C]([13C](=O)[13CH2][13CH2]3)[13C](=O)O[13C]2=[13C]4[13C@@H]5[13CH]=[13CH]O[13C@@H]5O[13C]4=[13CH]1
Canonical SMILES	COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C5C=COC5OC4=C1
InChI	InChI=1S/C17H12O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h4-6,8,17H,2-3H2,1H3/t8-,17+/m0/s1/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1,13+1,14+1,15+1,16+1,17+1
InChI Key	OQIQSTLJSLGHID-DENWKYDXSA-N
Purity	95% atom 13C
Density	1.6±0.1 g/cm3
Solubility	Soluble in Acetonitrile
Storage	Store at -20°C