Products 98942-06-4

CAS 98942-06-4 appears in our catalog under these names: Ferulic Acid Impurity 16, 3-​Feruloyl-​1-​Sinapoyl sucrose. Offered by: Chemat Brand, MedChemExpress. Available pack sizes: on request, Get quote.

Ferulic Acid Impurity 16
Chemat Brand
  • size: on request
  • Variants: 1
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3-​Feruloyl-​1-​Sinapoyl sucrose
MedChemExpress
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  • Variants: 1
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Structural formula: {0} (CAS {1})

[(2R,3S,4R,5R)-4-hydroxy-2-[[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxymethyl]-5-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate (CAS 98942-06-4) is a chemical compound with the molecular formula C33H40O18 and a molecular weight of 724.7 g/mol. IUPAC name: [(2R,3S,4R,5R)-4-hydroxy-2-[[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxymethyl]-5-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate. InChIKey: LHGNBKKPEPCPCT-MAPAUBAGSA-N.

Identity
Molecular formulaC33H40O18
Molecular weight724.7 g/mol
IUPAC name[(2R,3S,4R,5R)-4-hydroxy-2-[[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxymethyl]-5-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
InChIKeyLHGNBKKPEPCPCT-MAPAUBAGSA-N
SMILESCOC1=CC(=CC(=C1O)OC)/C=C/C(=O)OC[C@]2([C@H]([C@@H]([C@H](O2)CO)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)OC)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O

Computed by PubChem (NCBI)

Synonyms: 3-Feruloyl-1-Sinapoyl sucrose