Guaiacylglycerol-B-coniferyl Ether (C20 H24 O7)

bmse010461 Data

Entry STAR file: bmse010461.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: 376.40036

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

Concentration: Saturated (Source: John Ralph Lab)

Spectrometer: Bruker DRX - 360 MHz

Graphical representations:

View large 3D structure

Guaiacylglycerol-B-coniferyl Ether image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1A3OMe55.971
C2B3OMe56.031
C12G61.211
C9BG63.561
C20A74.071
C19B89.471
C10B2108.941
C11A2110.001
C7A5114.371
C8B5120.151
C5B6120.291
C6A6120.831
C3BB128.241
C4BA130.531
C13B1131.551
C14A1133.151
C15A4144.751
C17A3145.711
C16B4147.471
C18B3151.331

Solvent: Acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1A3OMe56.191
C2B3OMe56.311
C12G61.881
C9BG63.251
C20A73.831
C19B88.371
C10B2110.851
C11A2111.421
C7A5115.211
C8B5119.571
C5B6120.311
C6A6120.541
C3BB129.631
C4BA129.851
C13B1132.961
C14A1133.821
C15A4146.831
C17A3148.031
C16B4149.151
C18B3151.691
H44G13.481
H45G23.671
H49AGOH3.851
H48BGOH3.851
H28A3OMe3.801
H29A3OMe3.801
H30A3OMe3.801
H32B3OMe3.881
H31B3OMe3.881
H33B3OMe3.881
H40BG4.201
H41BG4.201
H46B4.201
H51AOH4.451
H47A4.871
H34BB6.281
H35BA6.521
H38A56.761
H37A66.8951
H39B66.8951
H43A27.081
H42B27.091
H49B57.111
H50A4OH7.501

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1A3OMe55.441
C2B3OMe55.831
C12G60.161
C9BG61.651
C20A71.011
C19B84.361
C10B2109.841
C11A2111.051
C7A5114.711
C8B5115.531
C5B6119.051
C6A6119.101
C3BB128.581
C4BA128.601
C13B1130.181
C14A1132.971
C15A4145.461
C17A3147.031
C16B4147.881
C18B3149.701