Products 67411-22-7

CAS 67411-22-7 is the registry number for Simmondsin-2'-ferulate. Offered by: Biosynth. Available pack sizes: 50mg, 25mg.

Simmondsin-2'-ferulate
Biosynth
  • size: 50mg, 25mg
  • Variants: 2
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Structural formula: {0} (CAS {1})

Simmondsin 2'-ferulate is a hydroxycinnamic acid.

Source: ChEBI

Identity
Molecular formulaC26H33NO12
Molecular weight551.5 g/mol
IUPAC name[(2R,3R,4S,5S,6R)-2-[(1R,2Z,3S,4R,5S)-2-(cyanomethylidene)-3-hydroxy-4,5-dimethoxycyclohexyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
InChIKeyGWXJMPVVJCHQIB-NSQTZXJSSA-N
SMILESCO[C@H]1C[C@H](/C(=C\C#N)/[C@@H]([C@H]1OC)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)OC(=O)/C=C\C3=CC(=C(C=C3)O)OC

Computed by PubChem (NCBI)

Synonyms: Simmondsin 2'-ferulate, Simmondsin 2'-ferulic acid