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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alpha,beta Xylose Acetate (C13 H18 O9)

bmse010422 Data

Entry STAR file: bmse010422.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: 318.27662

This is of the category: Misc. Compounds

Concentration: Saturated (Source: John Ralph Lab)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

alpha,beta Xylose Acetate image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.424
C1AcMe20.544
C2AcMe20.604
C2AcMe20.604
C3AcMe20.664
C3AcMe20.664
C4AcMe20.744
C4AcMe20.794
C13560.651
C13562.761
C12468.351
C12468.671
C11369.391
C11369.391
C10269.531
C10270.971
C5189.261
C5192.051
C6AcC=O168.924
C6AcC=O168.924
C7AcC=O169.224
C7AcC=O169.654
C8AcC=O169.684
C8AcC=O169.684
C9AcC=O169.754
C9AcC=O170.024
H23AcMe2.024
H25AcMe2.024
H24AcMe2.024
H23AcMe2.0494
H25AcMe2.0494
H24AcMe2.0494
H26AcMe2.0494
H28AcMe2.0494
H27AcMe2.0494
H26AcMe2.0524
H28AcMe2.0524
H27AcMe2.0524
H30AcMe2.0524
H31AcMe2.0524
H29AcMe2.0524
H30AcMe2.064
H31AcMe2.064
H29AcMe2.064
H34AcMe2.114
H32AcMe2.114
H33AcMe2.114
H34AcMe2.174
H32AcMe2.174
H33AcMe2.174

Solvent: Acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.354
C1AcMe20.464
C2AcMe20.514
C2AcMe20.554
C3AcMe20.554
C3AcMe20.554
C4AcMe20.654
C4AcMe20.654
C13561.121
C13563.141
C12469.091
C12469.221
C11369.871
C11370.241
C10270.301
C10271.541
C5189.761
C5192.671
C6AcC=O169.354
C6AcC=O169.534
C7AcC=O169.664
C7AcC=O170.014
C8AcC=O170.104
C8AcC=O170.194
C9AcC=O170.224
C9AcC=O170.224

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.214
C1AcMe20.254
C2AcMe20.344
C2AcMe20.344
C3AcMe20.344
C3AcMe20.344
C4AcMe20.444
C4AcMe20.524
C13560.051
C13562.011
C12467.991
C12468.101
C11368.831
C11368.931
C10269.361
C10270.521
C5188.601
C5191.491
C6AcC=O168.784
C6AcC=O169.024
C7AcC=O169.024
C7AcC=O169.364
C8AcC=O169.414
C8AcC=O169.494
C9AcC=O169.544
C9AcC=O169.584