G-b-S-r-S-b-G (C42 H50 O16)

bmse010121 Data

Entry STAR file: bmse010121.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: 810.8368

This is of the category: Tetramers

Concentration: 16 mg/ml (Source: Susana Luque)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

G-b-S-r-S-b-G image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C25BB54.481
C26CB54.481
C1OMe56.004
C2OMe56.004
C3OMe56.274
C4OMe56.274
C5OMe56.274
C6OMe56.274
C17AG60.561
C18DG60.561
C19BG72.011
C20CG72.011
C37AA72.551
C38DA72.551
C39BA85.861
C40CA85.861
C35AB87.081
C36DB87.081
C13B2102.821
C15C2102.821
C14B6102.821
C16C6102.821
C11A2108.451
C12D2108.451
C9A5114.191
C10D5114.191
C7A6118.751
C8D6118.751
C21A1131.311
C22D1131.311
C23B1134.411
C24C1134.411
C41B4137.631
C42C4137.631
C27A4144.891
C28D4144.891
C29A3146.641
C30D3146.641
C31B3153.491
C33C3153.491
C32B5153.491
C34C5153.491

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C25BB55.371
C26CB55.371
C1OMe56.264
C2OMe56.264
C3OMe56.624
C4OMe56.624
C5OMe56.624
C6OMe56.624
C17AG60.971
C18DG60.971
C19BG72.641
C20CG72.641
C37AA73.381
C38DA73.381
C39BA86.531
C40CA86.531
C35AB87.841
C36DB87.841
C13B2104.121
C15C2104.121
C14B6104.121
C16C6104.121
C11A2110.931
C12D2110.931
C9A5115.191
C10D5115.191
C7A6120.051
C8D6120.051
C21A1133.771
C22D1133.771
C23B1135.741
C24C1135.741
C41B4139.001
C42C4139.001
C27A4146.451
C28D4146.451
C29A3147.961
C30D3147.961
C31B3154.201
C33C3154.201
C32B5154.201
C34C5154.201
H60OMe3.834
H61OMe3.834
H59OMe3.834
H63OMe3.834
H62OMe3.834
H64OMe3.834
H67OMe3.874
H65OMe3.874
H66OMe3.874
H68OMe3.874
H69OMe3.874
H70OMe3.874
H71OMe3.874
H73OMe3.874
H72OMe3.874
H76OMe3.874
H75OMe3.874
H74OMe3.874
H88AG23.711
H90DG23.711
H99AA4.981
H100DA4.981
H101BA4.751
H102CA4.751
H83B26.771
H84B66.771
H85C26.771
H86C66.771
H81A27.041
H82D27.041

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C25BB53.561
C26CB53.561
C1OMe55.414
C2OMe55.414
C3OMe55.894
C4OMe55.894
C5OMe55.894
C6OMe55.894
C17AG59.731
C18DG59.731
C19BG71.211
C20CG71.211
C37AA72.001
C38DA72.001
C39BA84.971
C40CA84.971
C35AB86.051
C36DB86.051
C13B2103.221
C15C2103.221
C14B6103.221
C16C6103.221
C11A2110.851
C12D2110.851
C9A5114.541
C10D5114.541
C7A6119.241
C8D6119.241
C21A1133.181
C22D1133.181
C23B1134.691
C24C1134.691
C41B4136.681
C42C4136.681
C27A4145.201
C28D4145.201
C29A3146.851
C30D3146.851
C31B3152.501
C33C3152.501
C32B5152.501
C34C5152.501