CymitQuimica logo

CAS 89354-48-3

:

Benzeneacetonitrile, α-[[6-O-[4-O-[1-oxo-3-[4-[(6-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]phenyl]-2-propenyl]-β-D-xylopyranosyl]-β-D-glucopyranosyl]oxy]-, [S-(E)]-

Description:
Benzeneacetonitrile, α-[[6-O-[4-O-[1-oxo-3-[4-[(6-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]phenyl]-2-propenyl]-β-D-xylopyranosyl]-β-D-glucopyranosyl]oxy]-, [S-(E)]- (CAS 89354-48-3) is a complex organic compound characterized by its intricate glycosylated structure. It features multiple sugar moieties, specifically β-D-xylopyranosyl and β-D-glucopyranosyl units, which contribute to its solubility and potential biological activity. The presence of a benzene ring and a nitrile group indicates that it may exhibit aromatic properties and could participate in various chemical reactions typical of nitriles. This compound may be of interest in pharmaceutical and biochemical research due to its potential interactions with biological systems, possibly serving as a lead compound for drug development. Its stereochemistry, indicated by the [S-(E)] notation, suggests specific spatial arrangements that could influence its reactivity and biological interactions. Overall, the compound's unique structure and functional groups make it a subject of interest in organic chemistry and medicinal chemistry.
Formula:C39H49NO21
InChI:InChI=1S/C39H49NO21/c40-12-21(18-4-2-1-3-5-18)59-39-35(52)31(48)28(45)24(61-39)16-56-37-33(50)29(46)22(14-54-37)58-25(42)11-8-17-6-9-19(10-7-17)57-38-34(51)30(47)27(44)23(60-38)15-55-36-32(49)26(43)20(41)13-53-36/h1-11,20-24,26-39,41,43-52H,13-16H2
InChI key:InChIKey=GVPIOFYEBVTHHT-UHFFFAOYSA-N
SMILES:O(C(C#N)C1=CC=CC=C1)C2OC(COC3C(O)C(O)C(OC(C=CC4=CC=C(OC5OC(COC6C(O)C(O)C(O)CO6)C(O)C(O)C5O)C=C4)=O)CO3)C(O)C(O)C2O
Synonyms:
  • Benzeneacetonitrile, α-[[6-O-[4-O-[1-oxo-3-[4-[(6-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]phenyl]-2-propenyl]-β-D-xylopyranosyl]-β-D-glucopyranosyl]oxy]-, [S-(E)]-
  • 2-Propenoic acid, 3-[4-[(6-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]phenyl]-, 4′′-ester with α-[(6-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]benzeneacetonitrile, [S-(E)]-
Sort by
The purity filter is not visible because current products do not have associated purity data for filtering.
Found 1 products.