G-b-S-r-S (C32 H38 O12)

bmse010110 Data

Entry STAR file: bmse010110.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: 614.63692

This is of the category: Trimers

Concentration: 68 mg/ml (Source: Susana Luque)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

G-b-S-r-S image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C20BB54.321
C19CB54.481
C1OMe56.004
C2OMe56.274
C3OMe56.274
C4OMe56.444
C5OMe56.444
C13G60.571
C14CG71.761
C15BG72.081
C28A72.561
C31BA85.981
C30CA85.981
C27B87.031
C11B2102.881
C12B6102.881
C9C2102.881
C10C6102.881
C8A2108.611
C7A5114.281
C6A6118.801
C17C1131.371
C16A1131.911
C18B1134.361
C29C4134.521
C32B4137.801
C22A3144.941
C21A4146.711
C23C3147.291
C24C5147.291
C11B3153.451
C12B5153.451

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C20BB55.231
C19CB55.391
C1OMe56.284
C2OMe56.604
C3OMe56.604
C4OMe56.674
C5OMe56.674
C13G60.971
C14CG72.381
C15BG72.571
C28A73.381
C31BA86.571
C30CA86.721
C27B87.781
C11B2104.091
C12B6104.091
C9C2104.501
C10C6104.501
C8A2110.931
C7A5115.211
C6A6120.041
C17C1133.101
C16A1133.741
C18B1135.671
C29C4136.201
C32B4139.051
C22A3146.431
C21A4147.961
C23C3148.671
C24C5148.671
C11B3154.151
C12B5154.151
H74BB3.111
H73CB3.111
H68G23.441
H75B4.171
H69CG4.221
H70CG4.221
H71BG4.221
H72BG4.221
H77CA4.671
H78BA4.731
H76A4.981
H65B26.761
H66B26.761
H63C26.671
H64C26.671
H62A27.031

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C20BB53.611
C19CB53.761
C1OMe55.534
C2OMe55.994
C3OMe55.994
C4OMe55.994
C5OMe55.994
C13G59.841
C14CG71.131
C15BG71.271
C28A72.121
C31BA85.121
C30CA85.321
C27B86.141
C11B2103.291
C12B6103.291
C9C2103.681
C10C6103.671
C8A2110.961
C7A5114.651
C6A6119.361
C17C1131.381
C16A1133.261
C18B1134.771
C29C4134.891
C32B4136.891
C22A3145.321
C21A4146.961
C23C3147.901
C24C5147.901
C11B3152.611
C12B5152.611