4-O-Methyl-ascochlorin

cas: 38561-40-9 — see every product listed under this CAS number, including other names

4-O-Methyl-ascochlorin (CAS 38561-40-9) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas38561-40-9
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Structural formula: {0} (CAS {1})

5-chloro-2-hydroxy-4-methoxy-6-methyl-3-[(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dienyl]benzaldehyde (CAS 38561-40-9) is a chemical compound with the molecular formula C24H31ClO4 and a molecular weight of 419.0 g/mol. IUPAC name: 5-chloro-2-hydroxy-4-methoxy-6-methyl-3-[(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dienyl]benzaldehyde. InChIKey: XUAAAHFMBMDZCQ-UMXIGZEWSA-N.

Identity
Molecular formulaC24H31ClO4
Molecular weight419.0 g/mol
IUPAC name5-chloro-2-hydroxy-4-methoxy-6-methyl-3-[(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dienyl]benzaldehyde
InChIKeyXUAAAHFMBMDZCQ-UMXIGZEWSA-N
SMILESC[C@@H]1CCC(=O)[C@@H]([C@@]1(C)/C=C/C(=C/CC2=C(C(=C(C(=C2OC)Cl)C)C=O)O)/C)C

Computed by PubChem (NCBI)

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