Chemical Compound

Simmondsin 2'-ferulate

CAS Registry Number 67411-22-7
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Simmondsin 2'-ferulate chemical structure
Primary Record

Simmondsin 2'-ferulate

In stock
5,208 g
Purity
99.5 %
CAS
67411-22-7

Compound Identifiers & Properties

CAS
67411-22-7
PubChem CID
6442644
SMILES
CO[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
Canonical SMILES
COc1cc(/C=C\C(=O)O[C@H]2[C@H](O[C@@H]3C[C@H](OC)[C@H](OC)[C@@H](O)/C3=C/C#N)O[C@H](CO)[C@@H](O)[C@@H]2O)ccc1O

Names & Synonyms

  • Simmondsin 2'-ferulate
  • AC1O5XLY
  • RefChem:183086
  • Simmondsin 2'-ferulic acid
  • Simmondsin 2 -cis-ferulate
  • CHEBI:195589
  • SIMMONDSIN-2'-FERULATE(P)
  • CID6442644
  • 67411-22-7
  • CID 6442644
  • J754.494D
  • A963259
  • [(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
  • Acetonitrile, (2-hydroxy-6-((2-O-(3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl)-beta-D-glucopyranosyl)oxy)-3,4-ethoxycyclohexylidene)-, (1Z,2alpha,3beta,4beta,6beta)-
  • ACETONITRILE,[(2S,3R,4S,6R)-2-HYDROXY-6-[[2-O-[3-(4-HYDROXY-3-METHOXYPHENYL)-1-OXO-2-PROPEN-1-YL]-B-D-GLUCOPYRANOSYL]OXY]-3,4-DIMETHOXYCYCLOHEXYLIDENE]-,(2Z)-
  • "[(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"
  • ((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
  • (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 (2Z)-3-(4-HYDROXY-3-METHOXYPHENYL)PROP-2-ENOATE
  • 1-O-[2-[(Z)-Cyanomethylene]-3alpha-hydroxy-4beta,5beta-dimethoxycyclohexan-1beta-yl]-beta-D-glucopyranose 2-(3-methoxy-4-hydroxy-cis-cinnamate)
  • 2-(((2E)-2-(cyanomethylidene)-3-hydroxy-4,5-dimethoxycyclohexyl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
  • 2-{[(2E)-2-(cyanomethylidene)-3-hydroxy-4,5-dimethoxycyclohexyl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid