Products 111810-18-5
CAS 111810-18-5 is the registry number for 2'''-Hydroxychlorothricin. Offered by: MedChemExpress. Available pack sizes: Get quote.
(7Z)-17-[5-[4-(3-chloro-6-methoxy-2-methylbenzoyl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-28-hydroxy-3,22-dimethyl-23,26-dioxo-24,27-dioxapentacyclo[23.2.1.01,6.013,22.016,21]octacosa-4,7,14,25(28)-tetraene-4-carboxylic acid (CAS 111810-18-5) is a chemical compound with the molecular formula C50H63ClO17 and a molecular weight of 971.5 g/mol. IUPAC name: (7Z)-17-[5-[4-(3-chloro-6-methoxy-2-methylbenzoyl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-28-hydroxy-3,22-dimethyl-23,26-dioxo-24,27-dioxapentacyclo[23.2.1.01,6.013,22.016,21]octacosa-4,7,14,25(28)-tetraene-4-carboxylic acid. InChIKey: BOAFKDAAUUBJJK-RAXLEYEMSA-N.
| Molecular formula | C50H63ClO17 |
|---|---|
| Molecular weight | 971.5 g/mol |
| IUPAC name | (7Z)-17-[5-[4-(3-chloro-6-methoxy-2-methylbenzoyl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-28-hydroxy-3,22-dimethyl-23,26-dioxo-24,27-dioxapentacyclo[23.2.1.01,6.013,22.016,21]octacosa-4,7,14,25(28)-tetraene-4-carboxylic acid |
| InChIKey | BOAFKDAAUUBJJK-RAXLEYEMSA-N |
| SMILES | CC1CC23C(/C=C\CCCCC4C=CC5C(C4(C(=O)OC(=C2O)C(=O)O3)C)CCCC5OC6C(C(C(C(O6)C)OC7CC(C(C(O7)C)O)OC(=O)C8=C(C=CC(=C8C)Cl)OC)O)O)C=C1C(=O)O |
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