Veratrone (C18 H20 O6)

bmse010050 Data

Entry STAR file: bmse010050.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: 332.3478

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

Concentration: 68 mg/ml (Source: Larry L. Landucci)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

Veratrone image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1OMe55.824
C2OMe55.974
C3OMe56.104
C11G63.731
C17B84.311
C10A2110.171
C9A5111.041
C6B2112.351
C7B5117.961
C5B6121.171
C4B1123.401
C8A6123.631
C12A1128.101
C15B4146.971
C16A3149.201
C13B3150.301
C14A4153.951
C18A195.041
H26OMe3.844
H25OMe3.844
H27OMe3.844
H28OMe3.904
H30OMe3.904
H29OMe3.904
H33OMe3.934
H32OMe3.934
H31OMe3.934
H41G4.081
H42G4.081
H43B5.421
H40A27.611
H38A67.761

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1OMe56.054
C2OMe56.054
C3OMe56.214
C11G64.111
C17B83.881
C10A2111.531
C9A5112.231
C6B2113.741
C7B5116.951
C5B6121.591
C4B1123.041
C8A6124.281
C12A1129.441
C15B4148.431
C16A3150.071
C13B3151.011
C14A4154.891
C18A195.921

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1OMe55.394
C2OMe55.464
C3OMe55.704
C11G62.471
C17B81.381
C10A2110.751
C9A5110.871
C6B2112.681
C7B5114.581
C5B6120.481
C4B1121.561
C8A6123.241
C12A1127.881
C15B4146.881
C16A3148.501
C13B3149.141
C14A4153.401
C18A195.141