Lignin_cw_compound_3037 (C20 H20 O7)

bmse010358 Data

Entry STAR file: bmse010358.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: 372.3686

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

Concentration: Saturated (Source: Sally Ralph)

Spectrometer: Bruker DRX - 360 MHz

Graphical representations:

View large 3D structure

Lignin_cw_compound_3037 image

Assigned chemical shifts

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.171
C2B3OMe56.141
C3A3OMe56.291
C4A5OMe56.291
C10A2108.101
C11A6108.101
C7B2113.481
C8B5115.071
C6B6121.371
C5B1123.681
C14A1131.351
C18A4131.531
C19A136.121
C17B4145.971
C15b149.811
C16B3149.841
C18A3153.201
C19A5153.201
C13AcC=O168.301
C12G188.261
H28AcMe2.211
H29AcMe2.211
H30AcMe2.211
H34A3OMe3.731
H36A3OMe3.731
H35A3OMe3.731
H37A5OMe3.731
H38A5OMe3.731
H39A5OMe3.731
H32B3OMe3.881
H31B3OMe3.881
H33B3OMe3.881
H43B56.761
H41B66.771
H40B16.971
H42B27.061
H45A27.291
H46A67.291
H44A7.311
H47G9.571