Lignin_cw_compound_272 (C19 H24 O10)

bmse010448 Data

Entry STAR file: bmse010448.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: 412.38786

This is of the category: Monomers

Concentration: Saturated (Source: John Ralph Lab)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

Lignin_cw_compound_272 image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C4A4AcMe20.481
C1GAcMe20.721
C2BAcMe20.851
C3AAcMe21.011
C5OMe56.311
C6OMe56.311
C9G62.171
C17B72.241
C18A73.781
C72104.051
C86104.051
C194129.131
C141134.191
C153152.451
C165152.451
C13A4AcC=O168.511
C12AAcC=O169.671
C11BAcC=O170.091
C10GAcC=O170.431
H31GAcMe2.061
H30GAcMe2.061
H32GAcMe2.061
H33BAcMe2.081
H35BAcMe2.081
H34BAcMe2.081
H37AAcMe2.101
H38AAcMe2.101
H36AAcMe2.101
H40A4AcMe2.331
H39A4AcMe2.331
H41A4AcMe2.331
H44OMe3.831
H42OMe3.831
H43OMe3.831
H45OMe3.831
H47OMe3.831
H46OMe3.831
H50G13.831
H51G24.261
H52B5.421
H53A5.921
H4826.611
H4966.611
C9G61.421
C17B72.481
C18A73.031
C72103.751
C86103.751
C141134.191
C153152.271
C165152.271

Solvent: Acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C4A4AcMe20.231
C1GAcMe20.551
C2BAcMe20.711
C3AAcMe20.831
C5OMe56.581
C6OMe56.581
C9G62.851
C17B72.991
C18A74.451
C72104.761
C86104.761
C194129.791
C141135.851
C153153.301
C165153.301
C13A4AcC=O168.421
C12AAcC=O170.001
C11BAcC=O170.211
C10GAcC=O170.651
H31GAcMe1.991
H30GAcMe1.991
H32GAcMe1.991
H33BAcMe2.011
H35BAcMe2.011
H34BAcMe2.011
H37AAcMe2.081
H38AAcMe2.081
H36AAcMe2.081
H40A4AcMe2.211
H39A4AcMe2.211
H41A4AcMe2.211
H44OMe3.811
H42OMe3.811
H43OMe3.811
H45OMe3.811
H47OMe3.811
H46OMe3.811
H50G13.911
H51G24.231
H52B5.411
H53A5.951
H4826.801
H4966.801
C9G62.341
C17B72.991
C18A73.761
C72104.671
C86104.671
C141135.631
C153153.191
C165153.191

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C4A4AcMe20.081
C1GAcMe20.391
C2BAcMe20.461
C3AAcMe20.651
C5OMe56.031
C6OMe56.031
C9G61.921
C17B71.731
C18A73.171
C72103.591
C86103.591
C194127.831
C141134.791
C153151.641
C165151.641
C13A4AcC=O167.931
C12AAcC=O169.431
C11BAcC=O169.431
C10GAcC=O169.951