Lignin_cw_compound_2017 (C40 H44 O12)

bmse010463 Data

Entry STAR file: bmse010463.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: 716.77016

This is of the category: Tetramers

Concentration: Saturated (Source: John Ralph Lab)

Spectrometer: Bruker DRX - 360 MHz

Graphical representations:

View large 3D structure

Lignin_cw_compound_2017 image

Assigned chemical shifts

Solvent: Acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C30CB54.281
C3A3OMe55.831
C1A4OMe55.801
C2BOMe56.091
C5DOMe56.201
C4COMe56.331
C24G61.201
C16BG62.771
C17DG62.851
C23CG64.181
C40A80.101
C38B83.861
C39CA87.801
C19B2110.711
C21C2110.981
C20D2111.351
C14A5111.671
C22A2112.041
C18D6115.961
C15C5116.411
C13B5117.551
C12C6118.421
C10B6119.991
C11A6120.961
C7DB127.731
C6BB128.641
C8BA130.021
C29D5129.641
C9DA130.571
C28A1130.941
C26D1131.831
C28B1132.111
C27C1136.081
C37D3144.751
C33C4147.311
C32B4147.981
C41D4148.271
C34A3149.451
C31A4149.481
C36C3150.581
C34B3150.831

Solvent: Acetone/D2O
Atom IDAuthor NomenclatureValueAmbiguity Code
H95AA5.481
H93AB4.621
H90AG13.801
H91AG23.911
H94CA5.511
H30CB3.431
H88CG13.691
H89CG23.801