Isotaxiresinol (C29 H32 O11)

bmse010490 Data

Entry STAR file: bmse010490.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: 556.55778

This is of the category: b-b Dimers

Concentration: Saturated (Source: John Ralph Lab)

Spectrometer: Bruker DRX - 360 MHz

Graphical representations:

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Isotaxiresinol image

Assigned chemical shifts

Solvent: Acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C4A3AcMe20.361
C3A4AcMe20.451
C5B4AcMe20.501
C1AcMe20.604
C2AcMe20.724
C9BA33.501
C22BB36.271
C24B44.341
C29A47.511
C6OMe56.181
C14G63.571
C13BG66.691
C11B2112.971
C12B5124.121
C8A5124.361
C10A2124.921
C7A6127.981
C23B6131.841
C21B1135.411
C28B4139.261
C25A4142.081
C27A3143.411
C20A1144.191
C26B3150.551
C17A4AcC=O168.521
C5B4AcC=O168.631
C18A3AcC=O168.921
C15AcC=O171.044
C16AcC=O171.054
H49AcMe2.004
H48AcMe2.004
H47AcMe2.004
H50AcMe2.014
H51AcMe2.014
H52AcMe2.014
H53AcMe2.104
H54AcMe2.104
H55AcMe2.104
H71B2.141
H41AcMe2.224
H43AcMe2.224
H42AcMe2.224
H44AcMe2.244
H46AcMe2.244
H45AcMe2.244
H70BB2.261
H61BA2.902
H62BA2.902
H57A3OMe3.781
H56A3OMe3.781
H58A3OMe3.781
H68G13.901
H72A4.061
H66BG14.111
H69G24.121
H67BG24.221
H65B56.341
H64B26.881
H63A27.041
H59A67.101
H60A57.141