Lignin_cw_compound_214 (C23 H26 O9)

bmse010141 Data

Entry STAR file: bmse010141.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: 446.44714

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

Concentration: Saturated (Source: Sally Ralph)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

Lignin_cw_compound_214 image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.574
C2AcMe20.664
C3AcMe20.934
C4OMe55.784
C5OMe55.904
C13G62.551
C23A73.791
C22B80.151
C12A2112.021
C8B2112.701
C9B5119.511
C10A6119.711
C7B6120.981
C11A5122.521
C6B1123.581
C17A1135.411
C20A4139.801
C19B4147.181
C18B3150.971
C21A3151.111
C14AcC=O168.694
C15AcC=O169.444
C16AcC=O170.684

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.464
C2AcMe20.594
C3AcMe20.864
C4OMe56.264
C5OMe56.324
C13G63.031
C23A74.631
C22B80.371
C12A2112.831
C8B2113.901
C9B5119.881
C10A6120.461
C7B6121.681
C11A5123.361
C6B1124.081
C17A1136.711
C20A4140.851
C19B4148.331
C18B3152.111
C21A3152.111
C14AcC=O168.894
C15AcC=O169.894
C16AcC=O170.744
H33AcMe1.944
H34AcMe1.944
H35AcMe1.944
H38AcMe2.084
H37AcMe2.084
H36AcMe2.084
H39AcMe2.234
H40AcMe2.234
H41AcMe2.234
H43OMe3.814
H42OMe3.814
H44OMe3.814
H47OMe3.834
H46OMe3.834
H45OMe3.834
H55G14.221
H56G24.391
H57B4.831
H58A6.091

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.224
C2AcMe20.294
C3AcMe20.534
C4OMe55.544
C5OMe55.664
C13G61.841
C23A73.101
C22B78.361
C12A2111.611
C8B2112.891
C9B5117.931
C10A6119.281
C7B6120.611
C11A5122.431
C6B1122.831
C17A1135.301
C20A4139.051
C19B4146.611
C18B3150.301
C21A3150.521
C14AcC=O168.314
C15AcC=O169.164
C16AcC=O169.944