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_2036 (C20 H18 O8)

bmse010303 Data

Entry STAR file: bmse010303.str

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

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

Natural Isotopic formula weight: 386.35212

This is of the category: b-b Dimers

Concentration: Saturated (Source: Stephane Quideau)

Spectrometer: Bruker DRX - 360 MHz

Graphical representations:

View large 3D structure

lignin_cw_compound_2036 image

Assigned chemical shifts

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C17A46.001
C18B48.081
C1A3OMe56.191
C2B3OMe56.391
C6A2111.981
C7B2113.061
C4A5115.481
C8B5116.921
C3A6120.671
C12BB124.341
C10B1124.641
C11B6132.351
C9A1136.121
C5BA137.581
C13A4146.061
C16B3147.481
C15A3148.101
C14B4149.291
C19BG169.321
C20G173.621
H29A3OMe3.741
H30A3OMe3.741
H31A3OMe3.741
H32B3OMe3.861
H33B3OMe3.861
H34B3OMe3.861
H42B3.881
H41A4.611
H35A66.421
H36A56.641
H40B56.711
H38A26.791
H39B27.041
H37BA7.601

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C17A44.251
C18B47.801
C1A3OMe55.591
C2B3OMe55.761
C6A2111.571
C7B2112.631
C4A5115.131
C8B5116.231
C3A6119.301
C12BB123.071
C10B1124.671
C11B6130.851
C9A1134.501
C5BA135.091
C13A4145.041
C16B3146.461
C15A3147.281
C14B4147.991
C19BG169.231
C20G173.271