H-b-G-AcO (C23 H26 O8)

bmse010435 Data

Entry STAR file: bmse010435.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: 430.44774

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

Concentration: Saturated (Source: John Ralph Lab)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

H-b-G-AcO image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C2GAcMe20.821
C4AAcMe21.061
C3A4AcMe21.181
C1BA21.181
C5OMe55.791
C13G62.481
C23A73.671
C22B80.801
C12B2113.601
C11B5120.091
C6B6121.271
C9A3121.531
C10A5121.531
C7A2128.411
C8A6128.411
C14B1133.721
C18A1134.441
C20B4144.751
C19A4150.591
C21B3151.031
C16A4AcC=O169.291
C17AAcC=O169.601
C15GAcC=O170.871
C13G63.101
C23A74.531
C22B80.731

Solvent: Acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C2GAcMe20.591
C4AAcMe20.881
C3A4AcMe20.951
C1BA21.071
C5OMe56.131
C13G62.841
C23A74.431
C22B80.841
C12B2114.651
C11B5120.441
C6B6121.851
C9A3122.411
C10A5122.411
C7A2129.251
C8A6129.251
C14B1133.961
C18A1135.531
C20B4145.861
C19A4151.711
C21B3151.951
C16A4AcC=O169.571
C17AAcC=O169.901
C15GAcC=O170.731
H37GAcMe1.921
H35GAcMe1.921
H36GAcMe1.921
H43AAcMe2.071
H42AAcMe2.071
H41AAcMe2.071
H38A4AcMe2.241
H40A4AcMe2.241
H39A4AcMe2.241
H33BA2.251
H32BA2.251
H34BA2.251
H45OMe3.771
H44OMe3.771
H46OMe3.771
H54G14.171
H55G24.371
H56B4.691
H57A6.061
H47B66.641
H53B26.851
H52B56.851
H50A37.121
H51A57.121
H48A27.501
H49A67.501
C13G63.561
C23A75.241
C22B81.061

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C2GAcMe20.341
C4AAcMe20.581
C3A4AcMe20.581
C1BA20.731
C5OMe55.461
C13G61.671
C23A72.931
C22B78.981
C12B2113.641
C11B5118.601
C6B6120.771
C9A3121.561
C10A5121.561
C7A2128.131
C8A6128.131
C14B1132.431
C18A1134.051
C20B4144.141
C19A4150.111
C21B3150.231
C16A4AcC=O169.051
C17AAcC=O169.211
C15GAcC=O169.971
C13G62.381
C23A74.031
C22B79.391