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Ochratoxin B-[d5]

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General Information
Catalog: BLP-003618
CAS: 1356353-91-7
Molecular Formula: C20H14D5NO6
Molecular Weight: 374.4

Chemical Structure

Description	Ochratoxin B-[d5], is the labelled analogue of Ochratoxin B, which is one of the most-abundant food-contaminating mycotoxins.
Synonyms	Ochratoxin B D5
IUPAC Name	(2S)-2-[[(3R)-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-(2,3,4,5,6-pentadeuteriophenyl)propanoic acid
Related CAS	4825-86-9 (unlabelled)
Canonical SMILES	CC1CC2=C(C(=C(C=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)O)O)C(=O)O1
InChI	InChI=1S/C20H19NO6/c1-11-9-13-7-8-14(17(22)16(13)20(26)27-11)18(23)21-15(19(24)25)10-12-5-3-2-4-6-12/h2-8,11,15,22H,9-10H2,1H3,(H,21,23)(H,24,25)/t11-,15+/m1/s1/i2D,3D,4D,5D,6D
InChI Key	DAEYIVCTQUFNTM-LUJPRUGASA-N
Boiling Point	632.4±55.0°C at 760 mmHg
Melting Point	205-207°C
Purity	>98%
Density	1.4±0.1 g/cm3
Solubility	Soluble in Methanol
Appearance	Off-white Solid
Storage	Store at-20°C