BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Erone ()

bmse010046 Data

Entry STAR file: bmse010046.str

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Authors: Sally Ralph, John Ralph, Larry L. Landucci

From: NMR Database of Lignin and Cell Wall Model Compounds.

Natural Isotopic formula weight:

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

Concentration: 90 mg/ml (Source: Sally Ralph)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

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Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1OMe55.824
C2OMe56.024
C10G63.701
C16B83.941
C9A2110.881
C5B2112.351
C8A5114.211
C6B5117.561
C4B6121.181
C3B1123.261
C7A6124.161
C11A1127.681
C14B4146.911
C15A3146.951
C13B3150.121
C15A4151.281
C17A194.911
H25OMe3.834
H24OMe3.834
H26OMe3.834
H27OMe3.874
H28OMe3.874
H29OMe3.874
H37G4.081
H38G4.081
H39B5.431

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1OMe56.204
C2OMe56.244
C10G64.111
C16B83.691
C9A2112.481
C5B2113.651
C8A5115.501
C6B5116.701
C4B6121.571
C3B1122.941
C7A6124.661
C11A1128.721
C14B4148.291
C15A3148.361
C13B3150.861
C15A4152.761
C17A195.641

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1OMe55.464
C2OMe55.504
C10G62.521
C16B81.321
C9A2111.711
C5B2112.671
C8A5114.481
C6B5114.981
C4B6120.481
C3B1121.471
C7A6123.511
C11A1126.791
C14B4146.941
C15A3147.491
C13B3149.131
C15A4152.221
C17A194.691