Lignin_cw_compound_137 (C26 H30 O10)

bmse010425 Data

Entry STAR file: bmse010425.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: 502.5104

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_137 image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C2AcMe20.624
C3AcMe20.624
C4AcMe20.984
C5AcMe21.344
C1BB22.001
C6OMe55.981
C14G62.641
C15BA71.851
C26A74.001
C25B78.081
C13A2111.641
C11B5116.311
C10B3116.311
C9A6119.601
C12A5122.961
C7B2127.661
C8B6127.661
C20B1134.861
C21A1135.221
C23A4140.051
C24A3151.201
C22B4157.971
C19A4AcC=O168.711
C16AcC=O169.694
C17AcC=O170.294
C18AcC=O170.554
H42AcMe1.984
H40AcMe1.984
H41AcMe1.984
H44AcMe2.054
H43AcMe2.054
H45AcMe2.054
H47AcMe2.054
H46AcMe2.054
H48AcMe2.054
H51AcMe2.294
H50AcMe2.294
H49AcMe2.294
H38BB1.511
H37BB1.511
H39BB1.511
H52OMe3.811
H53OMe3.811
H54OMe3.811
H62G14.041
H63G24.271
H64BA5.831
H66A6.071
H65B4.691
C14G62.321
C15BA71.851
C26A73.621
C25B78.401
C22B4157.581

Solvent: Acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C2AcMe20.454
C3AcMe20.564
C4AcMe20.864
C5AcMe21.144
C1BB22.341
C6OMe56.311
C14G63.241
C15BA72.171
C26A75.071
C25B79.101
C13A2112.611
C11B5117.081
C10B3117.081
C9A6120.371
C12A5123.631
C7B2128.271
C8B6128.271
C20B1136.201
C21A1136.391
C23A4140.971
C24A3152.251
C22B4159.121
C19A4AcC=O168.811
C16AcC=O169.994
C17AcC=O170.184
C18AcC=O170.654
C14G62.881
C15BA72.171
C26A74.211
C25B78.861
C22B4158.591

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C2AcMe20.284
C3AcMe20.364
C4AcMe20.614
C5AcMe20.924
C1BB21.781
C6OMe55.821
C14G62.161
C15BA71.141
C26A74.001
C25B77.571
C13A2111.651
C11B5116.011
C10B3116.011
C9A6119.451
C12A5122.711
C7B2127.301
C8B6127.301
C20B1134.711
C21A1135.251
C23A4139.251
C24A3150.731
C22B4157.691
C19A4AcC=O168.301
C16AcC=O169.354
C17AcC=O169.514
C18AcC=O169.824
C14G61.731
C15BA71.141
C26A72.811
C25B76.991
C22B4157.031