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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acetylated p-gluco cinnamic acid (C23 H26 O12)

bmse010089 Data

Entry STAR file: bmse010089.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: 494.44534

This is of the category: Misc. Compounds

Concentration: 44 mg/ml (Source: Noritsugu Terashima)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

acetylated_p_gluco_cinnamic_acid image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.581
C2AcMe20.581
C3AcMe20.581
C4AcMe20.581
C11B661.971
C20B468.291
C22B271.171
C18B572.231
C21B372.681
C23B198.551
C8A3117.181
C9A5117.181
C10B116.311
C16A1129.381
C5A2129.901
C6A6129.901
C7A145.761
C174158.521
C19G169.251
C12AcC=O169.394
C13AcC=O170.204
C14AcC=O170.514
C15AcC=O171.264

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.224
C2AcMe20.224
C3AcMe20.284
C4AcMe20.374
C11B661.521
C20B467.961
C22B270.601
C18B570.841
C21B371.861
C23B196.671
C8A3116.481
C9A5116.481
C10B117.801
C16A1128.981
C5A2129.761
C6A6129.761
C7A143.051
C174157.601
C19G167.501
C12AcC=O168.954
C13AcC=O169.174
C14AcC=O169.444
C15AcC=O169.824
H53B6.441
H51A37.131
H52A57.131
H50A7.641
H48A27.681
H49A67.681

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.084
C2AcMe20.834
C3AcMe55.554
C4AcMe56.214
C11B656.211
C20B463.821
C22B278.231
C18B5105.471
C21B3105.471
C23B1112.951
C8A3116.011
C9A5117.391
C10B120.631
C16A1122.381
C5A2122.381
C6A6122.551
C7A129.691
C174129.691
C19G131.491
C12AcC=O132.494
C13AcC=O132.554
C14AcC=O144.284
C15AcC=O146.324