Lignin_cw_compound_147 (C17 H20 O5)

bmse010079 Data

Entry STAR file: bmse010079.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: 304.3377

This is of the category: b-O-4 Dimers, 2-Carbon Sidechain

Concentration: Saturated (Source: Sally Ralph)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

Lignin_cw_compound_147 image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1OMe55.934
C2OMe55.934
C3OMe56.014
C13A72.171
C11B76.531
C10A2109.671
C9A5111.281
C6B2112.211
C7B5116.281
C8A6118.671
C5B6121.151
C4B1122.611
C12A1132.361
C14B3148.141
C15A3148.891
C17A4149.231
C16B4150.301

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1OMe56.134
C2OMe56.264
C3OMe56.364
C13A72.591
C11B76.221
C10A2111.631
C9A5112.771
C6B2113.671
C7B5115.821
C8A6119.441
C5B6121.861
C4B1122.431
C12A1135.501
C14B3149.711
C15A3149.711
C17A4149.841
C16B4150.301
H24OMe3.784
H23OMe3.784
H25OMe3.784
H26OMe3.824
H27OMe3.824
H28OMe3.824
H29OMe3.824
H30OMe3.824
H31OMe3.824
H39B14.01
H40B24.071
H41A4.981
H38A27.141

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1OMe55.384
C2OMe55.574
C3OMe55.574
C13A70.681
C11B74.071
C10A2110.481
C9A5111.561
C6B2112.551
C7B5113.791
C8A6118.321
C5B6120.731
C4B1120.941
C12A1135.111
C14B3147.991
C15A3148.201
C17A4148.461
C16B4149.111