3-epi-Ochratoxin A
Product Specifications
CAS Number
189152-21-4
Synonyms
3S,14S-Ochratoxin A; N-[[(3S)-5-Chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl]carbonyl]-L-phenylalanine;
Hazard Statement
Fatal if swallowed; UN number: UN3462; Packing Group: II
Smiles
ClC1=C2C(C(O[C@H](C2)C)=O)=C(C(C(N[C@H](C(O)=O)CC3=CC=CC=C3)=O)=C1)O
Molecular Formula
C20H18ClNO6
Molecular Weight
403.81
InChI
InChI=1S/C20H18ClNO6/c1-10-7-12-14(21)9-13(17(23)16(12)20(27)28-10)18(24)22-15(19(25)26)8-11-5-3-2-4-6-11/h2-6,9-10,15,23H,7-8H2,1H3,(H,22,24)(H,25,26)/t10-,15-/m0/s1
Additionnal Information
IUPAC name: ((S)-5-chloro-8-hydroxy-3-methyl-1-oxoisochromane-7-carbonyl)-L-phenylalanine
Shipping Conditions
Room Temperature
Storage Conditions
+4°C
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