Lignin_cw_compound_2035 (C22 H22 O8)

bmse010302 Data

Entry STAR file: bmse010302.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: 414.40528

This is of the category: b-b Dimers

Concentration: Saturated (Source: Stephane Quideau)

Spectrometer: Bruker DRX - 360 MHz

Graphical representations:

View large 3D structure

Lignin_cw_compound_2035 image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C19A45.601
C20B47.201
C3BGOMe51.871
C4AGOMe52.401
C1A3OMe55.831
C2B3OMe56.031
C8A2110.121
C9B2111.211
C6A5114.171
C10B5115.581
C5A6120.351
C14BB122.371
C12B1123.851
C13B6131.191
C11A1134.281
C7BA137.741
C15A4144.421
C18B3145.781
C17A3146.401
C16B4147.691
C21BG167.101
C22G172.931

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C19A46.331
C20B48.091
C3BGOMe51.871
C4AGOMe52.341
C1A3OMe56.211
C2B3OMe56.381
C8A2112.031
C9B2113.271
C6A5115.591
C10B5116.851
C5A6120.831
C14BB122.961
C12B1124.371
C13B6132.091
C11A1135.311
C7BA138.451
C15A4146.291
C18B3147.631
C17A3148.201
C16B4149.681
C21BG167.491
C22G173.171
H40AGOMe3.561
H41AGOMe3.561
H42AGOMe3.561
H37BGOMe3.681
H39BGOMe3.681
H38BGOMe3.681
H31A3OMe3.751
H32A3OMe3.751
H33A3OMe3.751
H36B3OMe3.881
H35B3OMe3.881
H34B3OMe3.881
H50B3.941
H49A4.531
H43A66.391
H44A56.651
H48B56.661
H46A26.761
H47B27.101
H45BA7.651

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C19A44.691
C20B46.741
C3BGOMe51.671
C4AGOMe52.111
C1A3OMe55.621
C2B3OMe55.741
C8A2111.651
C9B2113.251
C6A5115.241
C10B5116.061
C5A6119.481
C14BB120.891
C12B1122.471
C13B6130.741
C11A1133.561
C7BA137.921
C15A4145.311
C18B3146.721
C17A3147.391
C16B4148.881
C21BG166.521
C22G172.311