Badione A

cas: 90295-66-2 — see every product listed under this CAS number, including other names

Badione A (CAS 90295-66-2) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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Structural formula: {0} (CAS {1})

(2E)-2-[4-[10-[(5E)-5-[carboxy-(4-hydroxyphenyl)methylidene]-4-hydroxy-2-oxofuran-3-yl]-12-hydroxy-3,4-dioxo-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-7-yl]-3-hydroxy-5-oxofuran-2-ylidene]-2-(4-hydroxyphenyl)acetic acid (CAS 90295-66-2) is a chemical compound with the molecular formula C36H18O16 and a molecular weight of 706.5 g/mol. IUPAC name: (2E)-2-[4-[10-[(5E)-5-[carboxy-(4-hydroxyphenyl)methylidene]-4-hydroxy-2-oxofuran-3-yl]-12-hydroxy-3,4-dioxo-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-7-yl]-3-hydroxy-5-oxofuran-2-ylidene]-2-(4-hydroxyphenyl)acetic acid. InChIKey: DRKMVSXBACRYHE-WECXDZCISA-N.

Identity
Molecular formulaC36H18O16
Molecular weight706.5 g/mol
IUPAC name(2E)-2-[4-[10-[(5E)-5-[carboxy-(4-hydroxyphenyl)methylidene]-4-hydroxy-2-oxofuran-3-yl]-12-hydroxy-3,4-dioxo-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-7-yl]-3-hydroxy-5-oxofuran-2-ylidene]-2-(4-hydroxyphenyl)acetic acid
InChIKeyDRKMVSXBACRYHE-WECXDZCISA-N
SMILESC1=CC(=CC=C1/C(=C\2/C(=C(C(=O)O2)C3=CC4=C5C(=C3)C(=O)C(=O)OC5=C(C=C4C6=C(/C(=C(/C7=CC=C(C=C7)O)\C(=O)O)/OC6=O)O)O)O)/C(=O)O)O

Computed by PubChem (NCBI)

Synonyms: Badione A, orb3024350

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