2'''-Hydroxychlorothricin

cas: 111810-18-5 — see every product listed under this CAS number, including other names

2'''-Hydroxychlorothricin (CAS 111810-18-5) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas111810-18-5
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Structural formula: {0} (CAS {1})

(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.

Identity
Molecular formulaC50H63ClO17
Molecular weight971.5 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
InChIKeyBOAFKDAAUUBJJK-RAXLEYEMSA-N
SMILESCC1CC23C(/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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