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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Veratrone acetate (C20 H22 O7)

bmse010094 Data

Entry STAR file: bmse010094.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: 374.38448

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

Concentration: 70 mg/ml (Source: Larry L. Landucci)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

Veratrone_acetate image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.781
C2OMe55.794
C3OMe55.964
C4OMe56.074
C12G64.621
C19B80.281
C11A2110.221
C10A5111.101
C7B2112.671
C8B5118.051
C6B6120.961
C9A6123.331
C5B1123.761
C14A1128.041
C17B4146.921
C18A3149.041
C15B3150.321
C16A4153.881
C13AcC=O170.841
C20A194.051

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.641
C2OMe56.054
C3OMe56.174
C4OMe56.224
C12G64.851
C19B80.001
C11A2111.591
C10A5112.061
C7B2113.851
C8B5117.991
C6B6121.571
C9A6123.691
C5B1124.271
C14A1128.961
C17B4147.951
C18A3150.131
C15B3151.251
C16A4155.111
C13AcC=O170.891
C20A194.241
H28AcMe1.981
H29AcMe1.981
H30AcMe1.981
H31OMe3.774
H32OMe3.774
H33OMe3.774
H34OMe3.854
H35OMe3.854
H36OMe3.854
H37OMe3.894
H38OMe3.894
H39OMe3.894
H47G14.471
H48G24.621
H49B5.811
H54A57.061
H46A27.661
H44A67.841

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.441
C2OMe55.404
C3OMe55.534
C4OMe55.744
C12G63.601
C19B79.081
C11A2110.701
C10A5110.981
C7B2112.881
C8B5115.611
C6B6120.531
C9A6122.281
C5B1123.231
C14A1127.291
C17B4146.331
C18A3148.581
C15B3149.371
C16A4153.671
C13AcC=O170.001
C20A193.221