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_3016 (C24 H24 O8)

bmse010341 Data

Entry STAR file: bmse010341.str

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

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

Natural Isotopic formula weight: 440.44256

This is of the category: b-b Dimers

Concentration: Saturated (Source: Liming Zhang)

Spectrometer: Bruker DRX - 360 MHz

Graphical representations:

View large 3D structure

lignin_cw_compound_3016 image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.534
C2AcMe20.634
C7A29.571
C17B41.661
C18BB47.441
C23BA49.931
C3OMe55.874
C4OMe55.934
C11BG71.601
C8B2111.771
C9A2112.981
C5B6120.611
C6B5123.201
C10A5123.701
C16A6130.391
C15A1133.591
C22A4138.361
C19B4139.081
C14B1140.741
C21A3149.921
C20B3151.591
C12AcC=O168.904
C13AcC=O169.034
C24G176.431

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.364
C2AcMe20.484
C7A30.121
C17B41.871
C18BB47.651
C23BA50.091
C3OMe56.201
C4OMe56.201
C11BG71.851
C8B2113.401
C9A2114.001
C5B6121.451
C6B5123.861
C10A5124.121
C16A6132.091
C15A1134.971
C22A4139.271
C19B4140.001
C14B1142.521
C21A3150.801
C20B3152.591
C12AcC=O168.751
C13AcC=O168.751
C24G176.771
H33AcMe2.134
H34AcMe2.134
H35AcMe2.134
H36AcMe2.234
H37AcMe2.234
H38AcMe2.234
H55BB2.751
H54AB2.781
H47AA12.981
H48AA23.181
H39OMe3.754
H40OMe3.754
H41OMe3.754
H42OMe3.814
H43OMe3.814
H44OMe3.814
H56BA4.161
H52BG4.161
H53BG4.161
H51A56.441
H45B66.831
H49B26.961
H50A26.981
H46B57.031