Monardic acid A

cas: 1607436-76-9 — see every product listed under this CAS number, including other names

Monardic acid A (CAS 1607436-76-9) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas1607436-76-9
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Structural formula: {0} (CAS {1})

(2R,3R)-4-[(E)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-enyl]-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-3-carboxylic acid (CAS 1607436-76-9) is a chemical compound with the molecular formula C27H22O12 and a molecular weight of 538.5 g/mol. IUPAC name: (2R,3R)-4-[(E)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-enyl]-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-3-carboxylic acid. InChIKey: UJZQBMQZMKFSRV-PHQFMFTGSA-N.

Identity
Molecular formulaC27H22O12
Molecular weight538.5 g/mol
IUPAC name(2R,3R)-4-[(E)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-enyl]-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-3-carboxylic acid
InChIKeyUJZQBMQZMKFSRV-PHQFMFTGSA-N
SMILESC1=CC(=C(C=C1C[C@H](C(=O)O)OC(=O)/C=C/C2=C3[C@H]([C@@H](OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)O)O)O

Computed by PubChem (NCBI)

Synonyms: orb3179802

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