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_3027 (C21 H28 O6)

bmse010351 Data

Entry STAR file: bmse010351.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: 376.44342

This is of the category: b-O-4 Dimers, 3-Carbon Sidechain

Concentration: Saturated (Source: Sally Ralph)

Spectrometer: Bruker DRX - 360 MHz

Graphical representations:

View large 3D structure

lignin_cw_compound_3027 image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BG13.771
C5BB24.571
C9AA37.761
C6BA37.941
C2BOMe55.771
C3AOMe56.281
C4AOMe56.281
C13G63.471
C16B85.351
C11A2106.131
C12A6106.131
C10B2112.301
C8B5120.041
C7B6121.031
C15A1128.981
C21A4133.321
C14B1138.311
C17B4145.321
C19A3146.971
C20A5146.971
C18B3150.891
H30BG0.9101
H28BG0.9101
H29BG0.9101
H41BB1.5891
H42BB1.5891
H43BA2.4991
H44BA2.4991
H46A12.8561
H47A23.0321
H51G13.5781
H52G23.6551
H36AOMe3.8311
H35AOMe3.8311
H34AOMe3.8311
H37AOMe3.8311
H38AOMe3.8311
H39AOMe3.8311
H32BOMe3.8411
H31BOMe3.8411
H33BOMe3.8411
H53B4.1601
H49A26.4781
H50A66.4781
H44B66.6281
H48B26.6971
H45B56.6511
H55ArOH8.031

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BG14.011
C5BB25.401
C9AA38.211
C6BA38.231
C2BOMe56.191
C3AOMe56.561
C4AOMe56.561
C13G63.461
C16B83.471
C11A2107.931
C12A6107.931
C10B2113.811
C8B5118.541
C7B6121.361
C15A1129.591
C21A4135.341
C14B1137.381
C17B4146.851
C19A3148.481
C20A5148.481
C18B3151.571
H36BG0.8941
H35BG0.8941
H34BG0.8941
H37BB1.5851
H38BB1.5851
H39BA2.4911
H32BA2.4911
H31A12.851
H33A22.9221
H53G3.6021
H49G3.6021
H50GOH3.7341
H44AOMe3.7701
H48AOMe3.7701
H45AOMe3.7701
H55AOMe3.7701
H36AOMe3.7701
H35AOMe3.7701
H34BOMe3.8061
H37BOMe3.8061
H38BOMe3.8061
H39B4.3351
H32A26.5961
H31A66.5961
H33B66.6461
H53B26.8171
H49B56.8331
H50ArOH6.9401

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BG13.671
C5BB24.221
C9AA36.901
C6BA36.901
C2BOMe55.471
C3AOMe55.821
C4AOMe55.821
C13G61.841
C16B80.561
C11A2106.831
C12A6106.831
C10B2112.741
C8B5115.441
C7B6120.111
C15A1128.241
C21A4133.781
C14B1135.091
C17B4145.411
C19A3147.641
C20A5147.641
C18B3149.531
H36BG0.861
H35BG0.861
H34BG0.861
H37BB1.541
H38BB1.541
H39BA2.451
H32BA2.451
H31A12.741
H33A22.841
H53GOH4.751
H49AOMe3.681
H50AOMe3.681
H44AOMe3.681
H48AOMe3.681
H45AOMe3.681
H55AOMe3.681
H36BOMe3.711
H35BOMe3.711
H34BOMe3.711
H37B4.301
H38A26.491
H39A66.491
H32B66.621
H31B26.761
H33B56.831
H53ArOH8.031