Products 911392-42-2
CAS 911392-42-2 appears in our catalog under these names: Ochratoxin A 13C20 10 μg/mL in Acetonitrile, Ochratoxin A–13C20, OCHRATOXIN A-13C20 SOLUTION OEKANAL, 10. Offered by: Dr. Ehrenstorfer, GLPBio, Sigma-Aldrich. Available pack sizes: 1,2ml, 1ML.
(2S)-2-[[(3R)-5-chloro-8-hydroxy-3-(113C)methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-((1,2,3,4,5,6-13C6)cyclohexatrienyl)(1,2,3-13C3)propanoic acid (CAS 911392-42-2) is a chemical compound with the molecular formula C20H18ClNO6 and a molecular weight of 423.67 g/mol. IUPAC name: (2S)-2-[[(3R)-5-chloro-8-hydroxy-3-(113C)methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-((1,2,3,4,5,6-13C6)cyclohexatrienyl)(1,2,3-13C3)propanoic acid. InChIKey: RWQKHEORZBHNRI-VQZPEEAASA-N.
| Molecular formula | C20H18ClNO6 |
|---|---|
| Molecular weight | 423.67 g/mol |
| IUPAC name | (2S)-2-[[(3R)-5-chloro-8-hydroxy-3-(113C)methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-((1,2,3,4,5,6-13C6)cyclohexatrienyl)(1,2,3-13C3)propanoic acid |
| InChIKey | RWQKHEORZBHNRI-VQZPEEAASA-N |
| SMILES | [13CH3][13C@@H]1[13CH2][13C]2=[13C]([13CH]=[13C]([13C](=[13C]2[13C](=O)O1)O)[13C](=O)N[13C@@H]([13CH2][13C]3=[13CH][13CH]=[13CH][13CH]=[13CH]3)[13C](=O)O)Cl |
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