Natural Isotopic formula weight: 538.58556
This is of the category, Trimers
lignin_cw_compound_2015 image
lignin_cw_compound_2015

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bmse010294 Data       Entry STAR file: bmse010294.str       

Authors: Sally Ralph, John Ralph, Larry L. Landucci NMR Database of Lignin and Cell Wall Model Compounds.
Concentration: Saturated Source: Stephane Quideau
Spectrometer:   Bruker DRX - 360 MHz

Assigned chemical shifts
Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1A3OMe55.761
C2B3OMe55.851
C3C3OMe55.931
C19G62.171
C14BG63.561
C15CG63.631
C30A81.681
C29B85.421
C17C2109.381
C16B2109.541
C18A2109.771
C11A5114.261
C13C5115.941
C12B5119.131
C9C6119.491
C8B6119.741
C10A6120.331
C5CB127.101
C4BB127.601
C6BA130.591
C7CA130.791
C22A1130.431
C21C1130.851
C20B1132.091
C23A4145.491
C25C4146.641
C26A3146.851
C24B4147.081
C28C3149.801
C27B3150.811
Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1A3OMe56.181
C2B3OMe56.201
C3C3OMe56.321
C19G61.751
C14BG63.251
C15CG63.251
C30A81.151
C29B85.311
C17C2110.741
C16B2110.931
C18A2112.111
C11A5115.231
C13C5117.021
C12B5119.041
C9C6119.901
C8B6120.151
C10A6121.491
C5CB129.221
C4BB129.451
C6BA129.851
C7CA129.851
C22A1130.391
C21C1132.051
C20B1132.741
C23A4147.181
C25C4147.771
C26A3148.101
C24B4148.611
C28C3151.171
C27B3151.711
H69AA5.461
H68AB4.561
H66AG13.811
H67AG23.931
Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1A3OMe55.411
C2B3OMe55.611
C3C3OMe55.801
C19G59.741
C14BG61.521
C15CG61.581
C30A79.011
C29B82.531
C17C2109.931
C16B2109.931
C18A2111.911
C11A5114.741
C13C5115.711
C12B5116.151
C9C6118.871
C8B6119.001
C10A6120.341
C5CB128.321
C4BB128.471
C6BA130.491
C7CA130.491
C22A1128.241
C21C1128.711
C20B1128.821
C23A4146.071
C25C4146.271
C26A3147.111
C24B4147.361
C28C3149.731
C27B3149.801