Lignin_cw_compound_132 (C17 H20 O5)

bmse010068 Data

Entry STAR file: bmse010068.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_132 image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BB25.051
C2OMe55.981
C11BA69.911
C16A72.431
C10B73.581
C9A2108.821
C6B3114.641
C7B5114.641
C8A5114.371
C5A6119.331
C3B2126.731
C4B6126.731
C13A1131.661
C12B1138.661
C15A4145.571
C17A3146.701
C14B4157.811
H23BB1.461
H24BB1.461
H25BB1.461
H26OMe3.901
H27OMe3.901
H28OMe3.901
H36B13.961
H37B24.061
H38BA4.841
H39A5.031

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BB26.201
C2OMe56.271
C11BA69.501
C16A72.651
C10B74.651
C9A2110.891
C6B3115.071
C7B5115.071
C8A5115.421
C5A6119.881
C3B2127.271
C4B6127.271
C13A1134.301
C12B1140.411
C15A4146.861
C17A3148.161
C14B4158.801

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BB25.831
C2OMe55.501
C11BA67.521
C16A70.681
C10B73.221
C9A2110.551
C6B3113.951
C7B5113.951
C8A5114.881
C5A6118.631
C3B2126.281
C4B6126.281
C13A1133.301
C12B1139.301
C15A4145.601
C17A3147.171
C14B4157.191