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CAS 129761-12-2

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Benzeneacetonitrile, α-[[O-5-O-[(2E)-3-[4-(β-D-glucopyranosyloxy)-3-hydroxyphenyl]-1-oxo-2-propenyl]-D-apio-β-D-furanosyl-(1→4)-O-β-D-xylopyranosyl-(1→6)-β-D-glucopyranosyl]oxy]-3-hydroxy-, (αS)-

Description:
Benzeneacetonitrile, α-[[O-5-O-[(2E)-3-[4-(β-D-glucopyranosyloxy)-3-hydroxyphenyl]-1-oxo-2-propenyl]-D-apio-β-D-furanosyl-(1→4)-O-β-D-xylopyranosyl-(1→6)-β-D-glucopyranosyl]oxy]-3-hydroxy-, (αS)-, with CAS number 129761-12-2, is a complex organic compound characterized by its intricate glycosidic structure and multiple functional groups. It features a benzene ring, which contributes to its aromatic properties, and a nitrile group that enhances its reactivity. The presence of multiple sugar moieties indicates that it may exhibit significant biological activity, potentially serving as a natural product or a derivative with pharmacological applications. The stereochemistry, denoted by (αS)-, suggests specific spatial arrangements of atoms that can influence its interaction with biological targets. This compound's solubility, stability, and reactivity are likely influenced by its functional groups and molecular structure, making it of interest in fields such as medicinal chemistry and biochemistry. Further studies would be necessary to fully elucidate its properties and potential applications.
Formula:C39H49NO23
InChI:InChI=1S/C39H49NO23/c40-10-21(17-2-1-3-18(42)9-17)60-37-33(52)30(49)27(46)23(62-37)12-55-35-31(50)28(47)24(13-56-35)63-38-34(53)39(54,15-58-38)14-57-25(44)7-5-16-4-6-20(19(43)8-16)59-36-32(51)29(48)26(45)22(11-41)61-36/h1-9,21-24,26-38,41-43,45-54H,11-15H2
InChI key:InChIKey=TZFKCHSUEPOYIV-UHFFFAOYSA-N
SMILES:O(C1C(O)C(COC(C=CC2=CC(O)=C(OC3OC(CO)C(O)C(O)C3O)C=C2)=O)(O)CO1)C4C(O)C(O)C(OCC5OC(OC(C#N)C6=CC(O)=CC=C6)C(O)C(O)C5O)OC4
Synonyms:
  • Benzeneacetonitrile, α-[[O-5-O-[(2E)-3-[4-(β-D-glucopyranosyloxy)-3-hydroxyphenyl]-1-oxo-2-propenyl]-D-apio-β-D-furanosyl-(1→4)-O-β-D-xylopyranosyl-(1→6)-β-D-glucopyranosyl]oxy]-3-hydroxy-, (αS)-
  • 2-Propenoic acid, 3-[4-(β-D-glucopyranosyloxy)-3-hydroxyphenyl]-, 5′′′-ester with α-[(O-D-apio-β-D-furanosyl-(1→4)-O-β-D-xylopyranosyl-(1→6)-β-D-glucopyranosyl)oxy]-3-hydroxybenzeneacetonitrile, [S-(E)]-
  • Xeranthin
  • Benzeneacetonitrile, α-[[O-5-O-[3-[4-(β-D-glucopyranosyloxy)-3-hydroxyphenyl]-1-oxo-2-propenyl]-D-apio-β-D-furanosyl-(1→4)-O-β-D-xylopyranosyl-(1→6)-β-D-glucopyranosyl]oxy]-3-hydroxy-, [S-(E)]-
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