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_240 (C18 H22 O9)

bmse010436 Data

Entry STAR file: bmse010436.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: 382.36188

This is of the category: Monomers

Concentration: Saturated (Source: John Ralph Lab)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

lignin_cw_compound_240 image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.674
C2AcMe20.674
C3AcMe20.804
C4AcMe20.964
C5OMe56.021
C9G62.111
C17B72.221
C18A73.431
C82111.301
C66119.751
C75123.101
C141134.701
C164140.201
C153151.371
C114AcC=O168.771
C13AAcC=O169.651
C12BAcC=O170.041
C10GAcC=O170.431

Solvent: Acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.444
C2AcMe20.524
C3AcMe20.664
C4AcMe20.794
C5OMe56.341
C9G62.811
C17B72.921
C18A74.151
C82112.291
C66120.151
C75123.721
C141136.281
C164140.981
C153152.301
C114AcC=O168.951
C13AAcC=O170.081
C12BAcC=O170.301
C10GAcC=O170.731
H29AcMe1.984
H28AcMe1.984
H30AcMe1.984
H32AcMe1.994
H31AcMe1.994
H33AcMe1.994
H35AcMe2.084
H36AcMe2.084
H34AcMe2.084
H39AcMe2.224
H37AcMe2.224
H38AcMe2.224
H41OMe3.831
H42OMe3.831
H40OMe3.831
H46G13.901
H47G24.241
H48B5.421
H49A5.971
H4367.001
H4457.061
H4527.171
C9G62.311
C17B72.921
C18A73.531

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.364
C2AcMe20.414
C3AcMe20.464
C4AcMe20.664
C5OMe55.841
C9G61.931
C17B71.681
C18A72.901
C82111.251
C66119.001
C75122.811
C141135.201
C164139.191
C153150.721
C114AcC=O168.401
C13AAcC=O169.441
C12BAcC=O169.441
C10GAcC=O169.971