Syringin Acetate (C27 H34 O14)

bmse010059 Data

Entry STAR file: bmse010059.str

NMR-STAR interactive viewer

Authors: Sally Ralph, John Ralph, Larry L. Landucci

From: NMR Database of Lignin and Cell Wall Model Compounds.

Natural Isotopic formula weight: 582.55046

This is of the category: Misc. Compounds

Concentration: 100 mg/ml (Source: Sally Ralph)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

Syringin Acetate image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.604
C2AcMe20.684
C3AcMe20.684
C4AcMe20.684
C5AcMe20.954
C6OMe56.321
C7OMe56.321
C13B662.351
C10G64.841
C24B468.561
C26B271.991
C22B572.081
C25B373.111
C27B1101.211
C11A2104.091
C12A6104.091
C8B123.301
C19A1133.111
C9A133.861
C23A4134.561
C20A3153.071
C21A5153.071
C14AcC=O169.254
C15AcC=O169.414
C16AcC=O170.314
C17AcC=O170.514
C18AcC=O170.754
H43AcMe2.034
H42AcMe2.034
H44AcMe2.034
H46AcMe2.034
H45AcMe2.034
H47AcMe2.034
H49AcMe2.034
H50AcMe2.034
H48AcMe2.034
H51AcMe2.034
H52AcMe2.034
H53AcMe2.034
H56AcMe2.094
H54AcMe2.094
H55AcMe2.094
H57OMe3.841
H59OMe3.841
H58OMe3.841
H61OMe3.841
H62OMe3.841
H60OMe3.841
H65G4.711
H66G4.711
H63B6.221
H64A6.571
H67A26.611
H68A66.611

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.564
C2AcMe20.564
C3AcMe20.564
C4AcMe20.674
C5AcMe20.774
C6OMe56.691
C7OMe56.691
C13B662.911
C10G65.141
C24B469.471
C26B272.511
C22B572.811
C25B373.611
C27B1101.691
C11A2105.101
C12A6105.101
C8B124.381
C19A1134.021
C9A134.111
C23A4135.381
C20A3154.061
C21A5154.061
C14AcC=O169.594
C15AcC=O169.944
C16AcC=O170.244
C17AcC=O170.484
C18AcC=O170.644

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.254
C2AcMe20.364
C3AcMe20.364
C4AcMe20.364
C5AcMe20.644
C6OMe56.131
C7OMe56.131
C13B661.821
C10G64.191
C24B468.261
C26B270.731
C22B571.541
C25B372.141
C27B1100.481
C11A2104.091
C12A6104.091
C8B123.741
C19A1132.791
C9A132.791
C23A4133.871
C20A3152.681
C21A5152.681
C14AcC=O168.944
C15AcC=O169.244
C16AcC=O169.484
C17AcC=O169.814
C18AcC=O170.044