H-b-S-OH (C18 H22 O6)

bmse010442 Data

Entry STAR file: bmse010442.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

H-b-S-OH image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BA22.011
C2OMe56.191
C3OMe56.191
C10G60.501
C17A74.101
C16B89.141
C8B2106.161
C9B6106.161
C6A3115.561
C7A5115.561
C4A2128.751
C5A6128.751
C12A1131.261
C18B4133.021
C11B1134.771
C14B3152.691
C15B5152.691
C13A4156.281
H27BA2.361
H26BA2.361
H25BA2.361
H40G13.321
H41G23.571
H42B3.871
H28OMe3.901
H29OMe3.901
H30OMe3.901
H33OMe3.901
H31OMe3.901
H32OMe3.901
H43A5.031
H38B26.471
H39B66.471
H36A36.721
H37A56.721
H34A27.261
H35A67.261
C10G60.61
C17A72.41
C16B87.01

Solvent: Acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BA21.781
C2OMe56.481
C3OMe56.481
C10G61.061
C17A73.951
C16B89.981
C8B2107.121
C9B6107.121
C6A3115.581
C7A5115.581
C4A2129.221
C5A6129.221
C12A1133.061
C18B4134.671
C11B1134.841
C14B3153.671
C15B5153.671
C13A4157.681
H27BA2.281
H26BA2.281
H25BA2.281
H40G13.211
H41G23.601
H42B3.821
H28OMe3.851
H29OMe3.851
H30OMe3.851
H33OMe3.851
H31OMe3.851
H32OMe3.851
H43A4.981
H38B26.551
H39B66.551
H36A36.781
H37A56.781
H34A27.271
H35A67.271
C10G60.81
C17A73.11
C16B87.81

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BA21.341
C2OMe55.861
C3OMe55.861
C10G60.081
C17A71.531
C16B87.361
C8B2106.331
C9B6106.331
C6A3114.371
C7A5114.371
C4A2127.881
C5A6127.881
C12A1132.211
C18B4132.861
C11B1133.931
C14B3152.321
C15B5152.321
C13A4156.231