Veratrylglycerol-B-guaiacyl Ether (C18 H22 O6)

bmse010045 Data

Entry STAR file: bmse010045.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: 334.36368

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

Veratrylglycerol-B-guaiacyl Ether image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1OMe55.874
C2OMe55.914
C3OMe55.914
C11G60.811
C18A72.751
C17B87.101
C10A2109.411
C9A5111.081
C6B2112.211
C8A6118.491
C7B5120.681
C5B6121.581
C4B1124.021
C12A1132.701
C15B4146.961
C14A4148.481
C16A3149.021
C13B3151.471
H26OMe3.851
H25OMe3.851
H27OMe3.851
H30OMe3.851
H29OMe3.851
H28OMe3.851
H32OMe3.851
H33OMe3.851
H31OMe3.851
H44A4.991
H43B4.171
H41G13.691
H42G23.921
H40A26.901
H38A66.991

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1OMe56.074
C2OMe56.154
C3OMe56.304
C11G61.791
C18A73.751
C17B86.581
C10A2111.971
C9A5112.351
C6B2113.551
C8A6120.061
C7B5119.641
C5B6121.861
C4B1123.321
C12A1135.501
C15B4149.031
C14A4149.631
C16A3150.041
C13B3151.961
H26OMe3.764
H25OMe3.764
H27OMe3.764
H30OMe3.774
H29OMe3.774
H28OMe3.774
H32OMe3.814
H33OMe3.814
H31OMe3.814
H44A4.911
H43B4.291
H41G13.671
H42G23.811
H40A27.111
H38A66.861

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1OMe55.234
C2OMe55.444
C3OMe55.544
C11G60.031
C18A71.541
C17B83.621
C10A2111.031
C9A5111.141
C6B2112.611
C8A6115.951
C7B5119.181
C5B6120.561
C4B1120.951
C12A1134.791
C15B4147.761
C14A4147.991
C16A3148.101
C13B3149.721