H-b-H5e (C22 H24 O7)

bmse010180 Data

Entry STAR file: bmse010180.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: 400.42176

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

Concentration: 50 mg/ml (Source: Sally Ralph)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

H-b-H5e image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BA20.311
C2AGAcMe20.501
C4AAAcMe20.771
C3A4AcMe20.881
C13G62.151
C22A73.331
C21B78.691
C9B3116.761
C10B5116.761
C11A3121.441
C12A5121.441
C7A2128.301
C8A6128.301
C5B2129.881
C6B6129.881
C14B1131.391
C18A1133.831
C19A4150.541
C20B4155.771
C16A4AcC=O168.991
C17AAcC=O169.311
C15GAcC=O170.481
H33AGAcMe2.021
H34AGAcMe2.021
H35AGAcMe2.021
H39AAAcMe2.091
H40AAAcMe2.091
H41AAAcMe2.091
H30BA2.281
H31BA2.281
H32BA2.281
H36A4AcMe2.281
H37A4AcMe2.281
H38A4AcMe2.281
H50G14.201
H51G24.371
H52B4.661
H53A6.041
H46B36.771
H47B56.771
H42B27.071
H43B67.071
H48A37.071
H49A57.071
H44A27.421
H45A67.421

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BA20.491
C2AGAcMe20.581
C4AAAcMe20.861
C3A4AcMe20.941
C13G62.861
C22A74.121
C21B79.271
C9B3117.561
C10B5117.561
C11A3122.491
C12A5122.491
C7A2129.311
C8A6129.311
C5B2130.741
C6B6130.741
C14B1131.851
C18A1135.331
C19A4151.791
C20B4157.041
C16A4AcC=O169.531
C17AAcC=O169.861
C15GAcC=O170.761
HXAGAcMe1.941
HXAGAcMe1.941
HXAGAcMe1.941
HXAAAcMe2.061
HXAAAcMe2.061
HXAAAcMe2.061
HXBA2.231
HXBA2.231
HXBA2.231
HXA4AcMe2.231
HXA4AcMe2.231
HXA4AcMe2.231
HXG14.231
HXG24.341
HXB4.831
HXA6.041
HXB36.851
HXB56.851
HXB27.081
HXB67.081
HXA37.081
HXA57.081
HXA27.511
HXA67.511

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BA20.041
C2AGAcMe20.401
C4AAAcMe20.631
C3A4AcMe20.771
C13G61.771
C22A72.741
C21B77.411
C9B3116.371
C10B5116.371
C11A3121.661
C12A5121.661
C7A2128.311
C8A6128.311
C5B2130.331
C6B6130.331
C14B1130.511
C18A1134.091
C19A4150.231
C20B4155.461
C16A4AcC=O169.051
C17AAcC=O169.211
C15GAcC=O170.041