NMR Database of Lignin and Cell Wall Model Compounds

This is the latest public version of the Database, version 2024-08. Creating, maintaining, and updating this database is a huge job; please let us know if you find errors! We hope to have updates at least annually.

The database is in PDF format, providing the simplest way to get a viewable, printable, database on any platform, with limited searching capabilities.

Database

NMR DataBase Intro & Index
An intro to the database, and a structure index in pdf format. This structure index is the best way to find a compound as the compounds are not in any logical order. The structures are grouped under various classes.

NMR Database Pages
The NMR Database itself in pdf format. Great for browsing (using the structure index) and makes a nice printed database.

• NMR Database Data Pages Vol 1 (Compounds 1-340)
• NMR Database Data Pages Vol 2 (Compounds 1001-1030)
• NMR Database Data Pages Vol 3 (Compounds 2001-2082)
• NMR Database Data Pages Vol 4 (Compounds 3001-3080)

HSQC Plots and Database Model Data

HSQC Data from a mixture of the three dehydrodiconiferyl alcohol dimers prepared from coniferyl alcohol. These are the β-aryl ether (or simply β-ether, β-O-4), phenylcoumaran (β-5), and resinol (β-β) units. Twelve HSQC plots illustrating the side-chain unit contours with their characteristic linkages in the three solvents were prepared. The same mixture was derivatized to model the dimers as phenolic methyl ethers, as the fully acetylated compounds, and finally as the acetates of the phenolic methyl ethers. The 12 plots provide a quick visual affirmation and chemical shift data for identification of these linkages in both native and technical lignins, and make it easy to see the changes in chemical shift due to derivatization.

Coniferyl Alcohol 3-Dimer Mix Sidechain HSQC compilation

Contact

To contact a database author please email using the addresses below:
Sally Ralph - sally.ralph@usda.gov
John Ralph - jralph@wisc.edu
Fachuang Lu - fachuanglu@wisc.edu