Lignin_cw_compound_3041 (C21 H22 O8)

bmse010361 Data

Entry STAR file: bmse010361.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: 402.39458

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

Concentration: Saturated (Source: Sally Ralph)

Spectrometer: Bruker DRX - 360 MHz

Graphical representations:

View large 3D structure

Lignin_cw_compound_3041 image

Assigned chemical shifts

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.221
C2B3OMe56.351
C3B5OMe56.351
C4A3OMe56.561
C5A5OMe56.561
C7B2106.371
C8B6106.371
C10A2108.071
C11A6108.071
C6B1124.511
C9A126.811
C21A4130.471
14A1132.691
C20B4134.761
C15B152.091
C16B3152.351
C17B5152.351
C28A3153.011
C29A5153.011
C13AcC=O168.431
C12G186.951
H30AcMe2.231
H31AcMe2.231
H32AcMe2.231
H39A3OMe3.771
H40A3OMe3.771
H41A3OMe3.771
H42A5OMe3.771
H43A5OMe3.771
H44A5OMe3.771
H33B3OMe3.781
H34B3OMe3.781
H35B3OMe3.781
H36B5OMe3.781
H37B5OMe3.781
H38B5OMe3.781
H46B26.671
H47B66.671
H48A6.691
H45B17.011
H49A27.341
H50A67.341
H51G9.321