Lignin_cw_compound_21 (C18 H20 O7)

bmse010386 Data

Entry STAR file: bmse010386.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: 348.3472

This is of the category: b-O-4 Dimers, 3-Carbon Sidechain, a-C=O

Concentration: Saturated (Source: John Ralph Lab)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

Lignin_cw_compound_21 image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1OMe55.974
C2OMe55.974
C3OMe56.494
C4OMe56.494
C10G63.481
C16B87.161
C6B2105.271
C7B6105.271
C8A2106.351
C9A6106.351
C19B1124.341
C11A1126.981
C5B4136.461
C18A4140.051
C14A3146.791
C15A5146.791
C12B3152.731
C13B5152.731
C17A194.841
H34OMe3.744
H35OMe3.744
H36OMe3.744
H37OMe3.744
H38OMe3.744
H39OMe3.744
H28OMe3.924
H29OMe3.924
H30OMe3.924
H31OMe3.924
H32OMe3.924
H33OMe3.924
H16B5.101
H43A27.421
H44A67.421
H41B26.591
H42B66.591
H40B17.031

Solvent: Acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1OMe56.354
C2OMe56.354
C3OMe56.714
C4OMe56.714
C10G63.661
C16B86.211
C6B2106.321
C7B6106.321
C8A2107.691
C9A6107.691
C19B1124.781
C11A1127.861
C5B4137.371
C18A4141.991
C14A3148.311
C15A5148.311
C12B3153.861
C13B5153.861
C17A195.151

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1OMe55.734
C2OMe55.734
C3OMe55.974
C4OMe55.974
C10G61.951
C16B82.801
C6B2105.461
C7B6105.461
C8A2106.561
C9A6106.561
C19B1123.511
C11A1126.221
C5B4135.801
C18A4140.921
C14A3147.301
C15A5147.301
C12B3152.431
C13B5152.431
C17A194.711