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Ochratoxine A (10 μg/mL dans l'acétonitrile), TRC
Specifications
Specifications
| Nom chimique ou matériau | Ochratoxin A |
| CAS | 303-47-9 |
| Formule moléculaire | C20 H18 Cl N O6 |
| Quantité | 10x1 mL |
| Synonyme | Alanine, N-[(5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl]-3-phenyl-, (-)- (8CI), L-Phenylalanine, N-[(5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl]-, (R)-, Ochratoxin A (7CI), N-[[(3R)-5-Chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl]carbonyl]-L-phenylalanine, (R)-N-[(5-Chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-benzo[c]pyran-7-yl)carbonyl]-3-phenylalanine, 3R,14S-Ochratoxin A, NSC 201422, NSC 221991, Phe-OTA, Phenylalanine-ochratoxin A |
| Formule 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+/m1/s1 |
| SMILES | C[C@@H]1Cc2c(Cl)cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)c(O)c2C(=O)O1 |
| Nom IUPAC | acide (2S)-2-[[(3R)-5-chloro-8-hydroxy-3-méthyl-1-oxo-3,4-dihydroisochromène-7-carbonyl]amino]-3-phénylpropanoïque |
| Poids moléculaire (g/mol) | 403.81 |
| Poids de la formule | 403.0823 |
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