G-b-G-c-CA (acetate) (C40 H44 O15)

bmse010143 Data

Entry STAR file: bmse010143.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: 764.76836

This is of the category: Trimers

Concentration: Saturated (Source: Sally Ralph)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

G-b-G-c-CA (acetate) image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C4A4AcMe20.631
C5AAAcMe20.741
C2BGAcMe20.791
C1CGAcMe20.961
C3AGAcMe21.001
C31BB50.371
C6OMe55.884
C7OMe55.914
C8OMe56.004
C21G62.451
C15CG65.181
C20BG65.291
C39A73.661
C37B80.251
C38BA88.231
C18B2110.281
C17C2110.601
C19A2111.881
C16C6115.311
C11B6118.691
C14B5119.181
C12A6119.601
C9CB121.241
C13A5122.591
C30C5127.491
C27C1130.601
C10CA134.301
C29A1135.301
C28B1135.801
C32A4139.751
C36C3144.411
C33B4147.191
C40C4148.201
C35B3150.961
C34A3151.191
C25A4C=O168.801
C26AAC=O169.491
C22CGC=O170.741
C23BGC=O170.761
C24AGC=O170.881

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C4A4AcMe20.451
C5AAAcMe20.601
C2BGAcMe20.681
C1CGAcMe20.801
C3AGAcMe20.861
C31BB51.241
C6OMe56.281
C7OMe56.281
C8OMe56.281
C21G63.041
C15CG65.491
C20BG65.951
C39A74.481
C37B80.301
C38BA88.541
C18B2111.501
C17C2112.171
C19A2112.711
C16C6116.331
C11B6119.141
C14B5119.411
C12A6120.451
C9CB122.231
C13A5123.331
C30C5129.011
C27C1131.531
C10CA134.711
C29A1136.601
C28B1137.061
C32A4140.781
C36C3145.391
C33B4148.141
C40C4149.311
C35B3151.951
C34A3152.081
C25A4C=O168.921
C26AAC=O169.891
C22CGC=O170.771
C23BGC=O170.951
C24AGC=O170.951
H56CGAcMe1.931
H57CGAcMe1.931
H58CGAcMe1.931
H62AGAcMe2.041
H63AGAcMe2.041
H64AGAcMe2.041
H59BGAcMe2.041
H60BGAcMe2.041
H61BGAcMe2.041
H68AAAcMe2.061
H69AAAcMe2.061
H70AAAcMe2.061
H65A4AcMe2.211
H66A4AcMe2.211
H67A4AcMe2.211
H31BB3.751
H71AOMe3.811
H72AOMe3.811
H73AOMe3.811
H74BOMe3.811
H75BOMe3.811
H76BOMe3.811
H77COMe3.891
H78COMe3.891
H79COMe3.891
H94AG14.221
H95AG24.361
H92BG14.321
H93BG24.431
H86CG4.651
H87CG4.651
H97B4.861
H98BA5.551
H99A6.051
H80CB6.231
H81CA6.641
H82B66.911
H85B57.001
H90B27.071
H91A27.231

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C4A4AcMe20.321
C5AAAcMe20.401
C2BGAcMe20.511
C1CGAcMe20.621
C3AGAcMe20.701
C31BB49.341
C6OMe55.711
C7OMe55.711
C8OMe55.711
C21G61.851
C15CG64.491
C20BG64.761
C39A73.011
C37B78.301
C38BA87.171
C18B2110.741
C17C2110.931
C19A2111.621
C16C6115.261
C11B6117.491
C14B5118.301
C12A6119.331
C9CB121.341
C13A5122.501
C30C5127.891
C27C1130.041
C10CA133.491
C29A1135.051
C28B1135.261
C32A4139.061
C36C3143.841
C33B4146.541
C40C4147.531
C35B3150.161
C34A3150.541
C25A4C=O168.431
C26AAC=O169.261
C22CGC=O170.041
C23BGC=O170.151
C24AGC=O170.281