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

CAS Registry Number®

89354-49-4

CAS Name

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

Molecular Formula

C34H41NO17

Molecular Mass

735.69

Cite this Page

Benzeneacetonitrile, α-[[6-O-[4-O-[3-[4-(β-D-glucopyranosyloxy)phenyl]-1-oxo-2-propenyl]-β-D-xylopyranosyl]-β-D-glucopyranosyl]oxy]-, [S-(E)]-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=89354-49-4 (retrieved 2024-11-15) (CAS RN: 89354-49-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C34H41NO17/c35-12-19(17-4-2-1-3-5-17)50-34-31(45)28(42)25(39)22(52-34)15-47-32-29(43)26(40)21(14-46-32)49-23(37)11-8-16-6-9-18(10-7-16)48-33-30(44)27(41)24(38)20(13-36)51-33/h1-11,19-22,24-34,36,38-45H,13-15H2

InChIKey

InChIKey=HIRMPNNQGZEXOM-UHFFFAOYSA-N

SMILES

O(C(C#N)C1=CC=CC=C1)C2OC(COC3C(O)C(O)C(OC(C=CC4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4)=O)CO3)C(O)C(O)C2O

Canonical SMILES

N#CC(OC1OC(COC2OCC(OC(=O)C=CC3=CC=C(OC4OC(CO)C(O)C(O)C4O)C=C3)C(O)C2O)C(O)C(O)C1O)C=5C=CC=CC5

Other Names for this Substance

  • Benzeneacetonitrile, α-[[6-O-[4-O-[3-[4-(β-D-glucopyranosyloxy)phenyl]-1-oxo-2-propenyl]-β-D-xylopyranosyl]-β-D-glucopyranosyl]oxy]-, [S-(E)]-
  • 2-Propenoic acid, 3-[4-(β-D-glucopyranosyloxy)phenyl]-, 4′′-ester with α-[(6-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]benzeneacetonitrile, [S-(E)]-

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles