Guaiacylglycerol-B-coniferyl Ether (C20 H24 O7)

bmse010462 Data

Entry STAR file: bmse010462.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
C12G60.871
C9BG63.561
C20A72.961
C19B87.341
C10B2108.821
C11A2110.051
C7A5114.371
C8B5119.141
C5B6120.091
C6A6120.791
C3BB128.191
C4BA130.561
C13B1131.861
C14A1133.111
C15A4143.981
C17A3145.271
C16B4146.751
C18B3151.621

Solvent: Acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1A3OMe56.211
C2B3OMe56.291
C12G61.821
C9BG63.251
C20A73.811
C19B86.631
C10B2110.991
C11A2111.441
C7A5115.131
C8B5119.271
C5B6120.231
C6A6120.461
C3BB129.541
C4BA129.871
C13B1132.841
C14A1134.241
C15A4146.651
C17A3147.961
C16B4148.551
C18B3151.881
H44G13.691
H45G23.811
H49AGOH3.851
H48BGOH3.851
H28A3OMe3.801
H29A3OMe3.801
H30A3OMe3.801
H32B3OMe3.841
H31B3OMe3.841
H33B3OMe3.841
H40BG4.191
H41BG4.191
H46B4.291
H51AOH4.571
H47A4.891
H34BB6.261
H35BA6.501
H38A56.751
H37A66.8751
H36B66.8751
H39B56.911
H42B27.051
H43A27.101
H50A4OH7.471

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1A3OMe55.641
C2B3OMe55.641
C12G60.161
C9BG61.651
C20A71.671
C19B83.751
C10B2109.931
C11A2111.471
C7A5114.601
C8B5115.601
C5B6119.051
C6A6119.541
C3BB128.521
C4BA128.601
C13B1130.081
C14A1133.231
C15A4145.461
C17A3147.001
C16B4147.601
C18B3149.751