Lignin_cw_compound_262 (C31 H36 O13)

bmse010446 Data

Entry STAR file: bmse010446.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: 616.60974

This is of the category: b-5 Dimers

Concentration: Saturated (Source: John Ralph Lab)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

Lignin_cw_compound_262 image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
CXAcMe20.761
CXAcMe20.761
CXAcMe20.761
CXAcMe20.851
CXA4AcMe21.071
CXAB50.641
CXAOMe56.021
CXBOMe56.261
CXBG62.361
CXAG64.981
CXBB72.471
CXBA73.951
CXAA88.201
CXA2110.131
CXB2111.741
CXB6115.871
CXA6118.401
CXA5122.971
CXB5127.581
CXB1129.801
CXA1139.291
CXA4139.841
CXB3144.611
CXB4148.541
CXA3151.391
CXA4AcC=O168.961
CXBAAcC=O169.871
CXBBAcC=O170.101
CXBGAcC=O170.451
CXAGAcC=O170.751

Solvent: Acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
CXAcMe20.471
CXAcMe20.561
CXAcMe20.731
CXAcMe20.731
CXA4AcMe20.891
CXAB51.451
CXAOMe56.291
CXBOMe56.591
CXBG63.001
CXAG65.791
CXBB73.271
CXBA74.551
CXAA88.401
CXA2111.111
CXB2113.191
CXB6116.841
CXA6118.781
CXA5123.801
CXB5128.831
CXB1131.061
CXA1140.821
CXA4140.921
CXB3145.311
CXB4149.381
CXA3152.461
CXA4AcC=O168.961
CXBAAcC=O170.011
CXBBAcC=O170.261
CXBGAcC=O170.631
CXAGAcC=O170.951
HXAcMe1.981
HXAcMe2.001
HXAcMe2.031
HXAcMe2.041
HXA4AcMe2.211
HXAB3.781
HXAOMe3.791
HXBG13.821
HXBOMe3.871
HXBG24.171
HXAG4.381
HXBB5.381
HXAA5.611
HXBA5.921
HXB26.991
HXB67.041
HXA67.041
HXA57.041
HXA27.181