BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

lignin_cw_compound_2057 (C24 H26 O8)

bmse010313 Data

Entry STAR file: bmse010313.str

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

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

Natural Isotopic formula weight: 442.45844

This is of the category: 5-5 Dimers

Concentration: Saturated (Source: Stephane Quideau)

Spectrometer: Bruker DRX - 360 MHz

Graphical representations:

View large 3D structure

lignin_cw_compound_2057 image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1CH314.311
C2CH314.311
C3OMe56.171
C4OMe56.171
C5CH260.341
C6CH260.341
C132108.781
C142108.781
C9B116.211
C10B116.211
C175123.591
C185123.591
C116124.811
C126124.811
C151126.731
C161126.731
C7A144.461
C8A144.461
C234145.101
C244145.101
C193147.271
C203147.271
C21G167.141
C22G167.141

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1CH314.221
C2CH314.221
C3OMe56.031
C4OMe56.031
C5CH259.631
C6CH259.631
C132109.471
C142109.471
C9B114.701
C10B114.701
C175125.201
C185125.201
C116125.351
C126125.351
C151124.581
C161124.581
C7A144.981
C8A144.981
C234146.841
C244146.841
C193147.941
C203147.941
C21G166.591
C22G166.591
H33CH31.261
H34CH31.261
H35CH31.261
H36CH31.261
H37CH31.261
H38CH31.261
H45CH24.181
H46CH24.181
H47CH24.181
H48CH24.181
H39OMe3.971
H40OMe3.971
H41OMe3.971
H42OMe3.971
H43OMe3.971
H44OMe3.971
H51B6.431
H52B6.431
H5367.201
H5467.201
H5527.361
H5627.361
H49A7.621
H50A7.621

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1CH314.641
C2CH356.561
C3OMe60.461
C4OMe109.951
C5CH2116.231
C6CH2125.591
C132126.221
C142126.641
C9B145.581
C10B147.471
C175148.931
C185167.391
C11614.641
C12656.561
C15160.461
C161109.951
C7A116.231
C8A125.591
C234126.221
C244126.641
C193145.581
C203147.471
C21G148.931
C22G167.391