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_2063 (C19 H22 O5)

bmse010316 Data

Entry STAR file: bmse010316.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: 330.37498

This is of the category: Misc. Compounds

Concentration: Saturated (Source: Stephane Quideau)

Spectrometer: Bruker DRX - 360 MHz

Graphical representations:

View large 3D structure

lignin_cw_compound_2063 image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C7BA30.111
C2B30.401
C3A31.751
C11BB36.171
C1OMe55.871
C12G63.851
C13A2110.961
C10A5114.281
C8B3115.311
C9B5115.311
C6A6120.931
C32B2129.371
C33B6129.371
C14B1132.461
C15A1133.091
C17A4143.761
C18A3146.401
C16B4154.131
C19BG173.261

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C7BA30.751
C2B31.331
C3A32.241
C11BB36.691
C1OMe56.161
C12G64.031
C13A2112.731
C10A5115.621
C8B3116.001
C9B5116.001
C6A6121.551
C32B2130.051
C33B6130.051
C14B1132.381
C15A1133.551
C17A4146.581
C18A3148.161
C16B4156.571
C19BG173.091
H28B1.861
H29B1.861
H30A2.551
H31A2.551
H40BB2.561
H41BB2.561
H35BA2.821
H36BA2.821
H25OMe3.801
H26OMe3.801
H27OMe3.801
H42G4.031
H43G4.031
H34A66.611
H39A56.731
H37B36.751
H38B56.751
H44A26.791
H32B27.061
H33B67.061
H20ArOH7.864
H21ArOH8.104

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C7BA29.491
C2B29.951
C3A30.911
C11BB35.471
C1OMe55.481
C12G63.131
C13A2112.431
C10A5115.281
C8B3115.031
C9B5115.031
C6A6120.301
C32B2129.041
C33B6129.041
C14B1130.501
C15A1131.831
C17A4144.531
C18A3147.381
C16B4155.551
C19BG172.321