BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

H-b-H5t (C22 H24 O7)

bmse010181 Data

Entry STAR file: bmse010181.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: 400.42176

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

Concentration: 50 mg/ml (Source: Sally Ralph)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

H-b-H5t image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BA20.491
C2AGAcMe20.641
C4AAAcMe20.971
C3A4AcMe21.081
C13G62.681
C22A73.941
C21B78.491
C9B3116.481
C10B5116.481
C11A3121.781
C12A5121.781
C7A2128.471
C8A6128.471
C5B2130.041
C6B6130.041
C14B1131.371
C18A1133.811
C19A4150.841
C20B4156.331
C16A4AcC=O169.151
C17AAcC=O169.731
C15GAcC=O170.571
H33AGAcMe1.981
H34AGAcMe1.981
H35AGAcMe1.981
H39AAAcMe2.051
H40AAAcMe2.051
H41AAAcMe2.051
H30BA2.281
H31BA2.281
H32BA2.281
H36A4AcMe2.281
H37A4AcMe2.281
H38A4AcMe2.281
H50G14.001
H51G24.261
H52B4.641
H53A6.091
H46B36.851
H47B56.851
H42B27.071
H43B67.071
H48A37.071
H49A57.071
H44A27.421
H45A67.421

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BA20.491
C2AGAcMe20.551
C4AAAcMe20.881
C3A4AcMe20.941
C13G63.271
C22A74.881
C21B79.271
C9B3117.241
C10B5117.241
C11A3122.671
C12A5122.671
C7A2129.331
C8A6129.331
C5B2130.741
C6B6130.741
C14B1131.661
C18A1135.221
C19A4151.941
C20B4157.591
C16A4AcC=O169.521
C17AAcC=O170.041
C15GAcC=O170.681
H33AGAcMe1.941
H34AGAcMe1.941
H35AGAcMe1.941
H39AAAcMe2.011
H40AAAcMe2.011
H41AAAcMe2.011
H30BA2.241
H31BA2.241
H32BA2.241
H36A4AcMe2.241
H37A4AcMe2.241
H38A4AcMe2.241
H50G14.011
H51G24.231
H52B4.831
H53A6.101
H46B36.901
H47B56.901
H42B27.101
H43B67.101
H48A37.101
H49A57.101
H44A27.511
H45A67.511

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BA20.031
C2AGAcMe20.391
C4AAAcMe20.641
C3A4AcMe20.771
C13G62.231
C22A73.771
C21B77.741
C9B3116.091
C10B5116.091
C11A3121.811
C12A5121.811
C7A2128.371
C8A6128.371
C5B2129.811
C6B6129.811
C14B1130.331
C18A1134.041
C19A4150.361
C20B4156.121
C16A4AcC=O169.041
C17AAcC=O169.411
C15GAcC=O169.981