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alpha-Zearalenol-[d5]

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General Information
Catalog: BLP-009421
CAS: 36455-72-8
Molecular Formula: C18H19D5O5
Molecular Weight: 325.41

Chemical Structure

Description	α-Zearalenol-[d5] is a labelled impurity of Zearalenol. Zearalenol, a resorcylic acid lactones derivative, could be produced by Fusarium fungi in grains and has been found to be an environmental contaminant.
Synonyms	α-Zearalenol-d5; (E)-(7S,11R)-2,4,11-Trihydroxy-7-methyl-7,8,9,10,11,12,13,14-octahydro-10,10,11,12,12-D5-6-oxa-benzocyclotetradecen-5-one; (-)-α-Zearalenol-d5; Zearalenol-d5; trans-Zearalenol-d5; (3S,7R,11E)-3,4,5,6,7,8,9,10-Octahydro-7,14,16-trihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1-one-d5
IUPAC Name	(4S,8R,12E)-7,7,8,9,9-pentadeuterio-8,16,18-trihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraen-2-one
Related CAS	36455-72-8 (unlabelled)
Canonical SMILES	CC1CCCC(CCCC=CC2=C(C(=CC(=C2)O)O)C(=O)O1)O
InChI	InChI=1S/C18H24O5/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/h3,7,10-12,14,19-21H,2,4-6,8-9H2,1H3/b7-3+/t12-,14+/m0/s1
InChI Key	FPQFYIAXQDXNOR-QDKLYSGJSA-N
Boiling Point	599.0±50.0°C (Predicted)
Melting Point	>144°C (dec.)
Purity	95% by HPLC; 98% atom D
Density	1.174±0.06 g/cm3 (Predicted)
Solubility	Soluble in Acetone (Slightly), Methanol (Slightly)
Appearance	Light Beige Solid
Storage	Store at -20°C under inert atmosphere

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