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Aflatoxin B2-[13C17]

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General Information
Catalog: BLP-010672
CAS: 1217470-98-8
Molecular Formula: [13C]17H14O6
Molecular Weight: 331.16

Chemical Structure

Description	Aflatoxin B2-[13C17] is the labelled analogue of Aflatoxin B2, which is a mycotoxin found in A. terricola.
Synonyms	Aflatoxin B2-13C17; (3S,7R)-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,9,11,13(17)-tetraene-16,18-dione-13C17; Dihydroaflatoxine B1-13C17; 2,3,6aR,8,9,9aS-hexahydro-4-methoxy-cyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-1,11-dione-13C17; Fully 13C-labelled Aflatoxin B2
IUPAC Name	(6aR,9aS)-4-(methoxy-13C)-2,3,6a,8,9,9a-hexahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione-1,2,3,3a,3b,4,5,5a,6a,8,9,9a,9b,9c,11,11a-13C16
Related CAS	7220-81-7 (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[13CH2][13CH2]O[13C@@H]5O[13C]4=[13CH]1
Canonical SMILES	COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C5CCOC5OC4=C1
InChI	InChI=1S/C17H14O6/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/h6,8,17H,2-5H2,1H3/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	WWSYXEZEXMQWHT-DENWKYDXSA-N
Purity	≥95%
Solubility	Soluble in Acetonitrile
Storage	Store at -20°C