Products 1374753-08-8

CAS 1374753-08-8 is the registry number for Malvidin-3-(6-caffeoyl-glucoside)-5-glucoside, ≥98%. Offered by: Chemat. Available pack sizes: 5mg.

Malvidin-3-(6-caffeoyl-glucoside)-5-glucoside, ≥98%
Chemat
  • size: 5mg
  • Variants: 1
from 4494.80
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Structural formula: {0} (CAS {1})

[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate (CAS 1374753-08-8) is a chemical compound with the molecular formula C38H41O20+ and a molecular weight of 817.7 g/mol. IUPAC name: [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate. InChIKey: VJJFUJIPWDVBPM-GRFZEYSCSA-O.

Identity
Molecular formulaC38H41O20+
Molecular weight817.7 g/mol
IUPAC name[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
InChIKeyVJJFUJIPWDVBPM-GRFZEYSCSA-O
SMILESCOC1=CC(=CC(=C1O)OC)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)O

Computed by PubChem (NCBI)

Synonyms: Malvidin-3-(6-caffeoyl-glucoside)-5-glucoside