Lignin_cw_compound_3021 (C33 H34 O10)

bmse010346 Data

Entry STAR file: bmse010346.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: 590.61706

This is of the category: More Trimers Containing Ferulic, Coumaric or p-OH-Benzoic Acid

Concentration: Saturated (Source: Sally Ralph)

Spectrometer: Bruker DRX - 360 MHz

Graphical representations:

View large 3D structure

Lignin_cw_compound_3021 image

Assigned chemical shifts

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1GAcMe20.581
C5CGOMe51.541
C4BGOMe51.571
C2A4OMe55.971
C3A3OMe56.141
C21G63.491
C33A79.321
C30B79.811
C20A2112.171
C17A5112.471
C18BB116.491
C19CB116.551
C8C2117.271
C9C6117.271
C6B2117.411
C7B6117.411
C12A6120.881
C24C1128.551
C23B1128.741
C25A1130.091
C13B3130.531
C14B5130.531
C15C3130.611
C16C5130.611
C19CA144.811
C18BA144.811
C28A4150.381
C29A3150.431
C27C4160.241
C26B4161.181
C32CG167.661
C31BG167.691
C22GAcC=O170.791
H46GAcMe1.9201
H45GAcMe1.9201
H44GAcMe1.9201
H55BGOMe3.6941
H53BGOMe3.6941
H54BGOMe3.6941
H57CGOMe3.7121
H58CGOMe3.7121
H56CGOMe3.7121
H49A4OMe3.7361
H48A4OMe3.7361
H47A4OMe3.7361
H52A3OMe3.7591
H50A3OMe3.7591
H51A3OMe3.7591
H74G14.4601
H75G24.5071
H76B5.0841
H77A5.6291
H72CB6.3431
H71BB6.3781
H70A56.8881
H61C26.9921
H62C66.9921
H60B27.0181
H59B67.0181
H65A67.0731
H73A27.1611
H68C37.5271
H69C57.5271
H66B37.5701
H67B57.5701
H64CA7.5481
H63BA7.5841