G-5-O-4-G Diacetate (C24 H30 O7)

bmse010183 Data

Entry STAR file: bmse010183.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: 430.4908

This is of the category: 5-O-4 Dimers

Concentration: 12 mg/ml (Source: Forest Products Laboratory)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

G-5-O-4-G Diacetate image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C2AG9.901
C1BG13.811
C4A4AcMe20.421
C3AAAcMe21.191
C7BB24.621
C8AB29.311
C9BA37.871
C5BOMe55.981
C6AOMe56.221
C19AA76.921
C13A2104.581
C14A6108.531
C12B2113.111
C10B6120.491
C11B5120.861
C24A4129.591
C18A1138.791
C17B1139.731
C20B4142.841
C23A5150.391
C21B3150.721
C22A3152.461
C16A4AcC=O168.481
C15AAAcC=O170.261
H35AG0.841
H37AG0.841
H36AG0.841
H32BG0.951
H34BG0.951
H33BG0.951
H50BB1.651
H51BB1.651
H52AB1.761
H53AB1.761
H38AAAcMe2.031
H39AAAcMe2.031
H40AAAcMe2.031
H41A4AcMe2.241
H42A4AcMe2.241
H43A4AcMe2.241
H54BA2.571
H55BA2.571
H45BOMe3.801
H44BOMe3.801
H46BOMe3.801
H49AOMe3.851
H47AOMe3.851
H48AOMe3.851
H61AA5.521
H60A66.381
H59A26.631
H56B66.691
H58B26.781
H57B56.841

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C2AG10.121
C1BG14.001
C4A4AcMe20.221
C3AAAcMe20.941
C7BB25.361
C8AB30.111
C9BA38.361
C5BOMe56.181
C6AOMe56.561
C19AA77.231
C13A2104.971
C14A6107.931
C12B2114.361
C10B6121.581
C11B5121.731
C24A4129.571
C18A1140.241
C17B1141.001
C20B4143.371
C23A5151.631
C21B3152.151
C22A3153.601
C16A4AcC=O168.461
C15AAAcC=O170.251
H35AG0.821
H37AG0.821
H36AG0.821
H32BG0.931
H34BG0.931
H33BG0.931
H50BB1.641
H51BB1.641
H52AB1.731
H53AB1.731
H38AAAcMe1.961
H39AAAcMe1.961
H40AAAcMe1.961
H41A4AcMe2.181
H42A4AcMe2.181
H43A4AcMe2.181
H54BA2.581
H55BA2.581
H45BOMe3.761
H44BOMe3.761
H46BOMe3.761
H49AOMe3.841
H47AOMe3.841
H48AOMe3.841
H61AA5.481
H60A66.321
H56B66.751
H59A26.771
H57B56.841
H58B26.961

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C2AG9.751
C1BG13.631
C4A4AcMe20.091
C3AAAcMe20.781
C7BB24.141
C8AB28.911
C9BA37.051
C5BOMe55.641
C6AOMe56.171
C19AA76.071
C13A2104.201
C14A6106.521
C12B2113.481
C10B6120.551
C11B5120.681
C24A4128.301
C18A1139.231
C17B1139.901
C20B4141.621
C23A5150.021
C21B3150.661
C22A3152.181
C16A4AcC=O168.051
C15AAAcC=O169.761