Lignin_cw_compound_3029 (C21 H24 O6)

bmse010504 Data

Entry STAR file: bmse010504.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: 372.41166

This is of the category: Misc. Compounds

Concentration: Saturated (Source: John Ralph Lab)

Spectrometer: Bruker DRX - 360 MHz

Graphical representations:

View large 3D structure

Lignin_cw_compound_3029 image

Assigned chemical shifts

Solvent: Acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1GAcMe20.701
C2AAcMe21.011
C11B35.781
C3OMe56.161
C12G61.201
C14BA71.261
C19A73.171
C13A2111.491
C10A5114.641
C9A6119.581
C5B3128.281
C6B5128.281
C7B2129.091
C8B6129.091
C4B4128.451
C18A1134.191
C17B1138.331
C20A4149.021
C21A3150.681
C16AAcC=O170.171
C15GAcC=O170.801
H30GAcMe1.991
H29GAcMe1.991
H28GAcMe1.991
H32AAcMe2.031
H31AAcMe2.031
H33AAcMe2.031
H44B2.181
H45B2.181
H36OMe3.831
H35OMe3.831
H34OMe3.831
H46G4.081
H47G4.081
H49BA5.091
H50BA5.091
H51A5.851
H42A66.911
H43A56.991
H48A27.041
H37BzH's7.3951
H38BzH's7.3951
H39BzH's7.3951
H40BzH's7.3951
H41BzH's7.3951