Natural Isotopic formula weight: 552.52448
This is of the category, Misc. Compounds
Coniferin acetate image
Coniferin acetate

View large 3D structure

bmse010058 Data       Entry STAR file: bmse010058.str       

Authors: Sally Ralph, John Ralph, Larry L. Landucci NMR Database of Lignin and Cell Wall Model Compounds.
Concentration: 100 mg/ml Source: Sally Ralph
Spectrometer:   Bruker WM - 250 MHz

Assigned chemical shifts
Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.604
C2AcMe20.604
C3AcMe20.604
C4AcMe20.664
C5AcMe20.954
C6OMe56.071
C13B661.971
C11G64.931
C23B468.461
C25B271.241
C22B572.021
C24B372.611
C20B1100.671
C12A2110.581
C10A5119.571
C9A6119.931
C7B122.831
C19A1133.021
C8A133.581
C20A4146.091
C21A3150.691
C14AcC=O169.264
C15AcC=O169.364
C16AcC=O170.154
C17AcC=O170.474
C18AcC=O170.714
H40AcMe2.034
H41AcMe2.034
H42AcMe2.034
H43AcMe2.034
H44AcMe2.034
H45AcMe2.034
H46AcMe2.074
H47AcMe2.074
H48AcMe2.074
H49AcMe2.074
H50AcMe2.074
H51AcMe2.074
H52AcMe2.094
H53AcMe2.094
H54AcMe2.094
H55OMe3.801
H56OMe3.801
H57OMe3.801
H62G4.701
H63G4.701
H58B6.201
H59A6.591
H60A66.891
H64A26.941
H61A57.071
Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.514
C2AcMe20.594
C3AcMe20.594
C4AcMe20.594
C5AcMe20.784
C6OMe56.471
C13B662.691
C11G65.231
C23B469.331
C25B271.961
C22B572.561
C24B373.231
C20B1100.791
C12A2111.551
C10A5119.771
C9A6120.261
C7B123.861
C19A1133.631
C8A133.821
C20A4147.191
C21A3151.441
C14AcC=O169.584
C15AcC=O169.964
C16AcC=O170.224
C17AcC=O170.584
C18AcC=O170.694
Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.234
C2AcMe20.284
C3AcMe20.304
C4AcMe20.414
C5AcMe20.654
C6OMe55.901
C13B661.661
C11G64.321
C23B468.151
C25B270.771
C22B570.861
C24B371.921
C20B198.761
C12A2110.611
C10A5118.051
C9A6119.341
C7B123.021
C19A1132.141
C8A132.671
C20A4145.661
C21A3149.911
C14AcC=O168.914
C15AcC=O169.244
C16AcC=O169.494
C17AcC=O169.904
C18AcC=O170.074