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Chemical structure of Ochratoxin B

GC40870

Ochratoxin B

Also known as (2S)-2-[[(3R)-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid

Ochratoxin B (OTB), a secondary metabolite of Aspergillus ochraceus, is the nonchlorinated analogue of the mycotoxin ochratoxin A (OTA), which is one of the most potent renal carcinogens in rodents

ChemicalCAS4825-86-9MW369.4FormulaC20H19NO6
CAS number
4825-86-9
Molecular weight
369.4
Formula
C20H19NO6
Solubility
50mg/mL in ethanol, 15mg/mL in DMSO, 10mg/mL in DMF
InChIKey
DAEYIVCTQUFNTM-ABAIWWIYSA-N
Catalogue number
GC40870
Brand
GLPBIO
Computed properties PubChem CID 20966 · XLogP 4.1 · TPSA 113 Ų · H-bond donors 3
XLogP
4.1
TPSA
113 Ų
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
27

SMILES C[C@@H]1CC2=C(C(=C(C=C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)O)C(=O)O1

Computed descriptors from PubChem (CID 20966), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Documents
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