V-c-CA (C25 H28 O8)

bmse010148 Data

Entry STAR file: bmse010148.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: 456.48502

This is of the category: b-5 Dimers

Concentration: 102 mg/ml (Source: Sally Ralph)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

V-c-CA image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.784
C2AcMe20.994
C20B50.321
C3OMe55.974
C4OMe55.974
C5OMe56.084
C10BG65.191
C14G65.351
C24A88.611
C13A2109.391
C12B2110.811
C9A5111.211
C11B6115.351
C8A6118.781
C6BB121.221
C19B5127.761
C17B1130.561
C18A1132.941
C7BA134.351
C23B3144.451
C25B4148.351
C22A3149.301
C21A4149.301
C15AcC=O170.731
C16AcC=O170.731

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.704
C2AcMe20.834
C20B51.161
C3OMe56.204
C4OMe56.204
C5OMe56.484
C10BG65.521
C14G65.961
C24A88.841
C13A2110.951
C12B2112.291
C9A5112.771
C11B6116.351
C8A6119.351
C6BB122.211
C19B5129.181
C17B1131.461
C18A1134.531
C7BA134.751
C23B3145.401
C25B4149.401
C22A3150.481
C21A4150.551
C15AcC=O170.794
C16AcC=O170.944
H34AcMe2.004
H35AcMe2.004
H36AcMe2.004
H38AcMe2.024
H39AcMe2.024
H37AcMe2.024
H42OMe3.794
H41OMe3.794
H40OMe3.794
H45OMe3.804
H44OMe3.804
H43OMe3.804
H46OMe3.884
H47OMe3.884
H48OMe3.884
H58G14.381
H59G24.431
H53BG4.661
H54BG4.661
H61AA5.541
H49BB6.231
H50BA6.641

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.504
C2AcMe20.674
C20B49.361
C3OMe55.534
C4OMe55.534
C5OMe55.754
C10BG64.511
C14G64.771
C24A87.441
C13A2109.961
C12B2111.051
C9A5111.761
C11B6115.291
C8A6118.471
C6BB121.341
C19B5128.061
C17B1130.031
C18A1132.881
C7BA133.551
C23B3143.901
C25B4147.671
C22A3148.871
C21A4148.871
C15AcC=O170.124
C16AcC=O170.264