Lignin_cw_compound_2006 (C24 H26 O8)

bmse010289 Data

Entry STAR file: bmse010289.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: 442.45844

This is of the category: b-5 Dimers

Concentration: Saturated (Source: Stephane Quideau)

Spectrometer: Bruker DRX - 360 MHz

Graphical representations:

View large 3D structure

Lignin_cw_compound_2006 image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C2ACH314.241
C1BCH314.311
C21B55.541
C3AOMe55.981
C4BOMe56.081
C6ACH261.831
C5BCH260.371
C22A87.461
C13A2108.741
C12B2111.931
C9A5114.491
C10BB115.931
C11B6117.861
C8A6119.441
C16B5125.851
C14B1128.611
C15A1131.441
C7BA144.501
C19B3144.691
C18A3146.691
C17A4146.031
C23B4149.901
C20BG167.181
C24G170.201

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C2ACH314.481
C1BCH314.631
C21B56.061
C3AOMe56.311
C4BOMe56.491
C6ACH262.201
C5BCH260.561
C22A88.341
C13A2110.741
C12B2113.301
C9A5115.821
C10BB116.691
C11B6118.911
C8A6120.181
C16B5127.411
C14B1129.461
C15A1132.101
C7BA145.221
C19B3145.821
C18A3148.561
C17A4147.971
C23B4150.991
C20BG167.281
C24G171.101
H35CH31.271
H34CH31.271
H33CH31.271
H38CH31.271
H37CH31.271
H36CH31.271
H39A3OMe3.821
H40A3OMe3.821
H41A3OMe3.821
H42B3OMe3.911
H43B3OMe3.911
H44B3OMe3.911
H45CH24.184
H46CH24.184
H47CH24.254
H48CH24.254
H56B4.431
H57A6.031
H52BB6.411
H51A56.841
H50A66.911
H55A27.081
H53B67.271
H54B27.311
H49BA7.621
H58A4OH7.871

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C2ACH314.121
C1BCH314.321
C21B54.331
C3AOMe55.781
C4BOMe56.041
C6ACH261.491
C5BCH259.991
C22A87.361
C13A2110.861
C12B2112.551
C9A5115.481
C10BB115.841
C11B6118.311
C8A6119.411
C16B5126.351
C14B1128.231
C15A1129.971
C7BA144.661
C19B3147.831
C18A3144.441
C17A4149.501
C23B4147.191
C20BG166.651
C24G170.421