S-b-S-OH (C20 H26 O8)

bmse010439 Data

Entry STAR file: bmse010439.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: 394.41564

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

S-b-S-OH image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BA21.851
C2OMe56.024
C3OMe56.024
C4OMe56.254
C5OMe56.254
C10G60.371
C18A74.331
C17B89.041
C8A2104.041
C9A6104.041
C6B2105.991
C7B6105.991
C12A1131.041
C11B1132.901
C20B4134.431
C19A4134.581
C13A3146.991
C14A5146.991
C15B3152.631
C16B5152.631
C10G60.501
C18A72.501
C17B87.031

Solvent: Acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BA21.781
C2OMe56.484
C3OMe56.484
C4OMe56.564
C5OMe56.564
C10G61.311
C18A74.291
C17B89.561
C8A2105.391
C9A6105.391
C6B2107.051
C7B6107.051
C12A1132.541
C11B1134.551
C20B4134.781
C19A4136.001
C13A3148.231
C14A5148.231
C15B3153.521
C16B5153.521
H30BA2.291
H29BA2.291
H31BA2.291
H32OMe3.804
H34OMe3.804
H33OMe3.804
H35OMe3.804
H36OMe3.804
H37OMe3.804
H38OMe3.864
H40OMe3.864
H39OMe3.864
H42OMe3.864
H41OMe3.864
H43OMe3.864
H51A4.991
H46A26.541
H47A66.541
H44B26.771
H45B66.771
H54A4OH7.081
C10G61.231
C18A73.431
C17B86.321

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BA21.311
C2OMe55.884
C3OMe55.884
C4OMe55.904
C5OMe55.904
C10G60.181
C18A71.591
C17B87.181
C8A2104.301
C9A6104.301
C6B2106.341
C7B6106.341
C12A1132.131
C11B1132.881
C20B4133.921
C19A4134.321
C13A3147.371
C14A5147.371
C15B3152.341
C16B5152.341