Lignin_cw_compound_289 (C40 H48 O14)

bmse010196 Data

Entry STAR file: bmse010196.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: 752.80072

This is of the category: Trimers

Concentration: Saturated (Source: Forest Products Laboratory)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

Lignin_cw_compound_289 image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1G9.794
C2G9.854
C3G9.904
C8C4AcMe20.211
C7B4AcMe20.321
C5AAAcMe21.121
C6CAAcMe21.161
C4BAAcMe21.221
C13B28.944
C14B29.214
C12BB29.461
C9OMe56.004
C10OMe56.004
C11OMe56.074
C31A76.834
C32A76.884
C33A76.884
C19C2103.601
C20C6105.821
C18A2110.401
C17B2110.701
C15B6120.301
C16A6120.781
C40C4128.021
C30A5130.861
C29B5131.771
C39A4136.951
C26B1137.841
C27A1138.161
C28C1138.161
C38B4140.051
C37C5150.421
C35A3151.111
C34B3152.201
C36C3152.201
C25C4AcC=O167.921
C24B4AcC=O168.771
C22AAAcC=O170.301
C23CAAcC=O170.401
C21BAAcC=O170.401
H58G0.724
H60G0.724
H59G0.724
H61G0.794
H62G0.794
H63G0.794
H79BG0.891
H80BG0.891
H81BG0.891
H90B1.721
H91B1.721
H92B1.721
H93B1.721
H88BB1.861
H89BB1.861
H71AcMeCA1.991
H70AcMeCA1.991
H72AcMeCA1.991
H69AcMeAA2.071
H68AcMeAA2.071
H67AcMeAA2.071
H65AcMeBA2.101
H64AcMeBA2.101
H66AcMeBA2.101
H75AcMeB42.161
H74AcMeB42.161
H73AcMeB42.161
H77AcMeC42.211
H76AcMeC42.211
H78AcMeC42.211
H79OMe3.714
H80OMe3.714
H81OMe3.714
H83OMe3.744
H84OMe3.744
H82OMe3.744
H86OMe3.794
H87OMe3.794
H85OMe3.794
H92CA5.451
H93CA5.451
H90AA5.541
H91AA5.541
H88BA5.631
H89BA5.631
H99C66.131
H98C26.461
H94B66.821
H95A66.761
H97A26.811
H96B26.871

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1G10.191
C2G10.191
C3G10.191
C8C4AcMe20.181
C7B4AcMe20.181
C5AAAcMe20.461
C6CAAcMe21.251
C4BAAcMe21.361
C13B29.774
C14B29.974
C12BB30.181
C9OMe56.384
C10OMe56.384
C11OMe56.654
C31A77.281
C32A77.281
C33A77.281
C19C2104.301
C20C6106.111
C18A2110.991
C17B2111.631
C15B6119.421
C16A6120.811
C40C4128.901
C30A5131.831
C29B5133.471
C39A4137.911
C26B1139.401
C27A1139.651
C28C1139.651
C38B4140.781
C37C5151.591
C35A3152.361
C34B3153.331
C36C3153.331
C25C4AcC=O167.621
C24B4AcC=O169.091
C22AAAcC=O169.091
C23CAAcC=O170.371
C21BAAcC=O170.501
H58G0.784
H60G0.784
H59G0.784
H61G0.824
H62G0.824
H63G0.824
H79BG0.911
H80BG0.911
H81BG0.911
H90AB1.731
H91AB1.731
H92CB1.731
H93CB1.731
H88BB1.881
H89BB1.881
H71AcMeCA1.951
H70AcMeCA1.951
H72AcMeCA1.951
H69AcMeAA2.041
H68AcMeAA2.041
H67AcMeAA2.041
H65AcMeBA2.051
H64AcMeBA2.051
H66AcMeBA2.051
H75AcMeB42.101
H74AcMeB42.101
H73AcMeB42.101
H77AcMeC42.161
H76AcMeC42.161
H78AcMeC42.161
H79OMe3.734
H80OMe3.734
H81OMe3.734
H83OMe3.764
H84OMe3.764
H82OMe3.764
H86OMe3.814
H87OMe3.814
H85OMe3.814
H92CA5.461
H93CA5.461
H90AA5.551
H91AA5.551
H88BA5.651
H89BA5.651
H99C66.201
H98C26.641
H94B66.811
H95A66.831
H97A26.991
H96B27.131

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1G9.571
C2G9.571
C3G9.571
C8C4AcMe19.771
C7B4AcMe19.881
C5AAAcMe20.591
C6CAAcMe20.681
C4BAAcMe20.801
C13B28.504
C14B28.684
C12BB28.841
C9OMe55.891
C10OMe55.891
C11OMe55.891
C31A75.941
C32A75.941
C33A75.941
C19C2103.381
C20C6106.531
C18A2110.121
C17B2110.881
C15B6119.391
C16A6119.641
C40C4127.111
C30A5130.231
C29B5130.831
C39A4136.201
C26B1138.031
C27A1138.311
C28C1138.501
C38B4138.961
C37C5149.991
C35A3150.841
C34B3151.801
C36C3151.801
C25C4AcC=O167.291
C24B4AcC=O168.231
C22AAAcC=O169.711
C23CAAcC=O169.711
C21BAAcC=O169.711
H58G0.714
H60G0.714
H59G0.714
H61G0.784
H62G0.784
H63G0.784
H79BG0.861
H80BG0.861
H81BG0.861
H90B1.671
H91B1.671
H92B1.671
H93B1.671
H88BB1.841
H89BB1.841
H71AcMeCA1.921
H70AcMeCA1.921
H72AcMeCA1.921
H77AcMeC42.151
H76AcMeC42.151
H78AcMeC42.151
H79OMe3.674
H80OMe3.674
H81OMe3.674
H83OMe3.724
H84OMe3.724
H82OMe3.724
H86OMe3.764
H87OMe3.764
H85OMe3.764
H92CA5.421
H93CA5.421
H90AA5.491
H91AA5.491
H88BA5.611
H89BA5.611
H99C66.031
H98C26.621
H94B66.701
H95A66.701
H97A26.991
H96B27.131