Lignin_cw_compound_2045 (C28 H36 O10)

bmse010478 Data

Entry STAR file: bmse010478.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: 532.57944

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

Concentration: Saturated (Source: John Ralph Lab)

Spectrometer: Bruker DRX - 360 MHz

Graphical representations:

View large 3D structure

Lignin_cw_compound_2045 image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C2AGCH313.821
C1CH314.931
C3CH320.101
C4OMe55.541
C5OMe55.631
C64CH261.011
C7ACH261.841
C14BCH264.821
C15BCH264.821
C26A73.571
C27B83.091
CX1?100.921
CX2?103.591
CX3?110.041
CX4?110.761
CX5?117.401
CX6?118.631
CX7?119.091
CX8?120.071
CX9?124.081
CX10?131.251
CX11?133.821
CX12?133.841
CX13?134.081
CX14?145.391
CX15?147.221
CX16?150.121
CX17?150.401
C28G169.031
H39CH31.471
H40CH31.471
H41CH31.471
H45CH31.471
H46CH31.471
H47CH31.471
H73Bt4.561
H73Be4.721
H72At5.061
H72Ae5.131
H70A4CH5.321
H71BG5.361
H63BB6.031
H59BA6.661