Vanillin-a-G-b-CA (C34 H36 O12)

bmse010171 Data

Entry STAR file: bmse010171.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: 636.64244

This is of the category: Trimers

Concentration: 6 mg/ml (Source: Sally Ralph)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

Vanillin-a-G-b-CA image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C3A4AcMe20.741
C2GAcMe20.821
C1BGAcMe21.101
C4OMe55.844
C5OMe56.094
C6OMe56.134
C20G63.121
C15BG65.171
C34A79.981
C33B82.111
C16B2109.931
C17C2110.291
C18A2111.141
C13C5114.771
C12B5119.311
C11A6119.461
C9B6119.931
C7BB122.391
C14A5122.941
C10C6126.321
C25C1130.991
C24B1132.031
C8BA133.931
C26A1136.051
C27A4139.891
C28B4147.311
C31C3150.681
C32A3151.131
C30B3151.431
C29C4152.811
C23A4AcC=O168.861
C21GAcC=O170.824
C22GAcC=O170.954
C19CA190.961

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C3A4AcMe20.461
C2GAcMe20.621
C1BGAcMe20.801
C4OMe56.244
C5OMe56.294
C6OMe56.514
C20G63.321
C15BG65.381
C34A80.551
C33B81.821
C16B2111.361
C17C2111.361
C18A2112.681
C13C5115.941
C12B5119.621
C11A6120.331
C9B6120.531
C7BB123.351
C14A5123.531
C10C6126.041
C25C1132.081
C24B1132.611
C8BA134.201
C26A1136.781
C27A4140.851
C28B4148.541
C31C3151.581
C32A3152.021
C30B3152.281
C29C4153.361
C23A4AcC=O168.871
C21GAcC=O170.771
C22GAcC=O170.771
C19CA191.261
H48AcMe1.914
H49AcMe1.914
H47AcMe1.914
H50AcMe2.034
H51AcMe2.034
H52AcMe2.034
H54AcMe2.074
H53AcMe2.074
H55AcMe2.074
H57OMe3.814
H58OMe3.814
H56OMe3.814
H59OMe3.834
H60OMe3.834
H61OMe3.834
H64OMe3.974
H63OMe3.974
H62OMe3.974
H79G14.451
H80G24.561
H73BG4.671
H74B4.911
H82A5.841
H65BB6.271
H66BA6.631
H67B66.931
H70B57.011
H72A57.031
H69A67.141
H75B27.151
H71C57.151
H77A27.361
H68C67.391
H76C27.461
H78CA9.811