Lignin_cw_compound_140 (C27 H32 O11)

bmse010427 Data

Entry STAR file: bmse010427.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: 532.53638

This is of the category: b-O-4 Dimers, 3-Carbon Sidechain

Concentration: Saturated (Source: John Ralph Lab)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

Lignin_cw_compound_140 image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C2AcMe20.644
C3AcMe20.684
C4AcMe21.014
C5AcMe21.354
C1BB22.091
C6OMe55.924
C7OMe55.974
C14G62.991
C15BA72.061
C27A74.411
C26B80.141
C12B2110.741
C13A2111.741
C10B5118.351
C8B6118.671
C9A6119.571
C11A5122.801
C13A1135.241
C20B1136.761
C22A4139.941
C23B4147.531
C24B3150.651
C25A3151.121
C19A4AcC=O168.741
C16AcC=O169.664
C17AcC=O170.254
C18AcC=O170.534
H40BB1.511
H41BB1.511
H39BB1.511
H44AcMe1.994
H42AcMe1.994
H43AcMe1.994
H46AcMe2.064
H47AcMe2.064
H45AcMe2.064
H49AcMe2.0654
H48AcMe2.0654
H50AcMe2.0654
H53AcMe2.304
H52AcMe2.304
H51AcMe2.304
H55OMe3.824
H54OMe3.824
H56OMe3.824
H57OMe3.834
H58OMe3.834
H59OMe3.834
H66G14.041
H67G24.301
H69B4.611
H68BA5.821
H70A6.111
C14G63.01
C27A73.71
C26B80.11
C23B4146.71

Solvent: Acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C2AcMe20.454
C3AcMe20.584
C4AcMe20.914
C5AcMe21.154
C1BB22.451
C6OMe56.294
C7OMe56.294
C14G63.551
C15BA72.391
C27A75.341
C26B80.681
C12B2111.761
C13A2112.641
C10B5118.851
C8B6119.191
C9A6120.281
C11A5123.511
C13A1136.601
C20B1137.781
C22A4140.881
C23B4148.481
C24B3151.571
C25A3152.181
C19A4AcC=O168.821
C16AcC=O169.944
C17AcC=O170.164
C18AcC=O170.624
C14G62.51
C27A74.51
C26B80.21
C23B4147.71

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C2AcMe20.284
C3AcMe20.354
C4AcMe20.624
C5AcMe20.944
C1BB21.891
C6OMe55.664
C7OMe55.784
C14G62.431
C15BA71.371
C27A74.261
C26B79.101
C12B2110.641
C13A2111.621
C10B5117.181
C8B6118.091
C9A6119.381
C11A5122.631
C13A1135.361
C20B1136.111
C22A4139.211
C23B4147.001
C24B3149.921
C25A3150.681
C19A4AcC=O168.321
C16AcC=O169.314
C17AcC=O169.534
C18AcC=O169.914
C14G61.81
C27A73.11
C26B78.31
C23B4146.11