Lignin_cw_compound_2004 (C20 H22 O6)

bmse010458 Data

Entry STAR file: bmse010458.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: 358.38508

This is of the category: b-5 Dimers

Concentration: Saturated (Source: John Ralph Lab)

Spectrometer: Bruker DRX - 360 MHz

Graphical representations:

View large 3D structure

Lignin_cw_compound_2004 image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C15B53.531
C1AOMe55.991
C2BOMe56.011
C7BG63.831
C11G64.001
C19A88.241
C10A2108.751
C9B2110.541
C6A5114.331
C8B6114.781
C5A6119.431
C3BB126.451
C14B5128.091
C4BA131.331
C12B1130.871
C13A1132.871
C18B3144.471
C16A4145.741
C17A3146.681
C20B4148.381

Solvent: Acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C15B54.731
C1AOMe56.261
C2BOMe56.381
C7BG63.391
C11G64.601
C19A88.511
C10A2110.481
C9B2111.721
C6A5115.671
C8B6116.081
C5A6119.571
C3BB128.331
C14B5130.401
C4BA130.541
C12B1131.911
C13A1134.361
C18B3145.141
C16A4147.271
C17A3148.361
C20B4148.841
H44B3.531
H42G3.831
H43G3.831
H47GOH3.831
H27A3OMe3.811
H28A3OMe3.811
H29A3OMe3.811
H30B3OMe3.851
H31B3OMe3.851
H32B3OMe3.851
H46BGOH4.161
H37BG4.191
H38BG4.191
H45A5.561
H33BB6.231
H34BA6.521
H36A56.801
H35A66.871
H40B26.941
H39B66.971
H41A27.031
H48A4OH7.731

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C15B53.021
C1AOMe55.681
C2BOMe55.731
C7BG61.701
C11G62.981
C19A87.261
C10A2110.371
C9B2110.371
C6A5115.001
C8B6115.371
C5A6118.581
C3BB128.021
C14B5129.521
C4BA129.041
C12B1130.561
C13A1132.391
C18B3143.721
C16A4146.421
C17A3147.131
C20B4147.601