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Zearalenone-[13C18]

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General Information
Catalog: BLP-012146
CAS: 911392-43-3
Molecular Formula: [13C]18H22O5
Molecular Weight: 336.23

Chemical Structure

Synonyms	Zearalenone-13C18
IUPAC Name	(4S,12E)-16,18-dihydroxy-4-(1-13C)methyl-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraene-2,8-dione
Related CAS	17924-92-4 (unlabelled)
Isomeric SMILES	[13CH3][13C@H]1[13CH2][13CH2][13CH2][13C](=O)[13CH2][13CH2][13CH2]/[13CH]=[13CH]/[13C]2=[13C]([13C](=[13CH][13C](=[13CH]2)O)O)[13C](=O)O1
Canonical SMILES	CC1CCCC(=O)CCCC=CC2=C(C(=CC(=C2)O)O)C(=O)O1
InChI	InChI=1S/C18H22O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,20-21H,2,4-6,8-9H2,1H3/b7-3+/t12-/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+1,18+1
InChI Key	MBMQEIFVQACCCH-NMEASMPJSA-N
Density	1.2±0.1 g/cm3
Storage	Store at -20°C