Petunidin-3-O-(6-O-p-coumaryl)-5-O-diglucoside

cas: 51939-66-3 — see every product listed under this CAS number, including other names

Petunidin-3-O-(6-O-p-coumaryl)-5-O-diglucoside (CAS 51939-66-3) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas51939-66-3
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Structural formula: {0} (CAS {1})

[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxy-5-methoxyphenyl)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate chloride (CAS 51939-66-3) is a chemical compound with the molecular formula C37H39ClO19 and a molecular weight of 823.1 g/mol. IUPAC name: [(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxy-5-methoxyphenyl)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate chloride. InChIKey: OBIYLRZBPFZUQG-MCZACEFTSA-N.

Identity
Molecular formulaC37H39ClO19
Molecular weight823.1 g/mol
IUPAC name[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxy-5-methoxyphenyl)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate chloride
InChIKeyOBIYLRZBPFZUQG-MCZACEFTSA-N
SMILESCOC1=CC(=CC(=C1O)O)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)/C=C/C6=CC=C(C=C6)O)O)O)O.[Cl-]

Computed by PubChem (NCBI)

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