3-O-Caffeoyl-5-O-feruloylquinic acid

cas: 173658-86-1 — see every product listed under this CAS number, including other names

3-O-Caffeoyl-5-O-feruloylquinic acid (CAS 173658-86-1) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas173658-86-1
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Structural formula: {0} (CAS {1})

(1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4-dihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid (CAS 173658-86-1) is a chemical compound with the molecular formula C26H26O12 and a molecular weight of 530.5 g/mol. IUPAC name: (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4-dihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid. InChIKey: HFPFOWZKUHZLHL-VOHNXBSUSA-N.

Identity
Molecular formulaC26H26O12
Molecular weight530.5 g/mol
IUPAC name(1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4-dihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid
InChIKeyHFPFOWZKUHZLHL-VOHNXBSUSA-N
SMILESCOC1=C(C=CC(=C1)/C=C/C(=O)O[C@@H]2C[C@@](C[C@H]([C@H]2O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)(C(=O)O)O)O

Computed by PubChem (NCBI)

Synonyms: orb3179679

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