BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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lignin_cw_compound_32 (C25 H30 O9)

bmse010388 Data

Entry STAR file: bmse010388.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: 474.5003

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_32 image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C2AcMe20.694
C3AcMe21.044
C4AcMe21.354
C1BB22.011
C5OMe55.914
C6OMe55.994
C14G62.911
C15BA71.861
C25A74.341
C24B78.431
C13A2110.511
C12A5111.201
C10B3116.401
C11B5116.401
C9A6119.921
C7B2127.621
C8B6127.621
C20A1128.581
C19B1135.131
C23A3149.101
C22A4149.411
C21B4158.171
C16AcC=0169.814
C17AcC=O170.274
C18AcC=O170.554
H40AcMe2.034
H38AcMe2.034
H39AcMe2.034
H42AcMe2.034
H41AcMe2.034
H43AcMe2.034
H46AcMe2.054
H45AcMe2.054
H44AcMe2.054
H36BB1.511
H35BB1.511
H37BB1.511
H49OMe3.871
H48OMe3.871
H47OMe3.871
H52OMe3.871
H51OMe3.871
H50OMe3.871
H60G14.001
H61G24.241
H62BA5.841
H64A6.021
H63B4.701
C14G62.591
C25A73.951
C24B78.431

Solvent: Acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C2AcMe20.564
C3AcMe20.894
C4AcMe21.134
C1BB22.351
C5OMe56.064
C6OMe56.174
C14G63.461
C15BA72.171
C25A75.351
C24B79.301
C13A2112.161
C12A5112.541
C10B3117.101
C11B5117.101
C9A6120.841
C7B2128.221
C8B6128.221
C20A1130.001
C19B1136.101
C23A3150.341
C22A4150.611
C21B4159.271
C16AcC=0169.904
C17AcC=O170.114
C18AcC=O170.584
C14G63.111
C25A74.411
C24B78.931

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C2AcMe20.384
C3AcMe20.644
C4AcMe20.934
C1BB21.781
C5OMe55.414
C6OMe55.514
C14G62.321
C15BA71.141
C25A74.251
C24B77.671
C13A2110.851
C12A5111.521
C10B3115.981
C11B5115.981
C9A6119.821
C7B2127.291
C8B6127.291
C20A1128.621
C19B1134.591
C23A3148.601
C22A4148.871
C21B4157.761
C16AcC=0169.284
C17AcC=O169.514
C18AcC=O169.924
C14G61.881
C25A72.921
C24B76.961