Lignin_cw_compound_296 (C14 H20 O5)

bmse010202 Data

Entry STAR file: bmse010202.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: 268.3056

This is of the category: Monomers

Concentration: Saturated (Source: Sally Ralph)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

Lignin_cw_compound_296 image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1G9.921
C2AAcMe21.131
C6B29.201
C33OMe55.981
C45OMe55.981
C54OMe60.631
C11A77.411
C72103.581
C86103.581
C101136.121
C144137.451
C123153.081
C135153.081
C9AAcC=O170.261
H21G0.901
H22G0.901
H20G0.901
H35B1.851
H36B1.851
H23AAcMe2.091
H24AAcMe2.091
H25AAcMe2.091
H324OMe3.831
H344OMe3.831
H334OMe3.831
H263OMe3.871
H283OMe3.871
H273OMe3.871
H295OMe3.871
H315OMe3.871
H305OMe3.871
H39A5.591
H3726.551
H3866.551

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1G10.301
C2AAcMe21.051
C6B30.131
C33OMe56.431
C45OMe56.431
C54OMe60.451
C11A77.751
C72104.711
C86104.711
C101137.561
C144138.711
C123154.321
C135154.321
C9AAcC=O170.371
H21G0.861
H22G0.861
H20G0.861
H35B1.821
H36B1.821
H23AAcMe2.031
H24AAcMe2.031
H25AAcMe2.031
H324OMe3.691
H344OMe3.691
H334OMe3.691
H263OMe3.811
H283OMe3.811
H273OMe3.811
H295OMe5.561
H315OMe5.561
H305OMe5.561
H39A5.561
H3726.641
H3866.641

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1G9.901
C2AAcMe20.891
C6B28.901
C33OMe55.861
C45OMe55.861
C54OMe59.911
C11A76.601
C72103.491
C86103.491
C101136.391
C144136.851
C123152.801
C135152.801
C9AAcC=O169.831
H21G0.821
H22G0.821
H20G0.821
H35B1.771
H36B1.771
H23AAcMe2.051
H24AAcMe2.051
H25AAcMe2.051
H324OMe3.631
H344OMe3.631
H334OMe3.631
H263OMe3.761
H283OMe3.761
H273OMe3.761
H295OMe3.761
H315OMe3.761
H305OMe3.761
H39A5.521
H3726.601
H3866.601