Erone Diacetate (C21 H22 O8)

bmse010093 Data

Entry STAR file: bmse010093.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: 402.39458

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

Concentration: 60 mg/ml (Source: Larry L. Landucci)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

Erone Diacetate image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.624
C2AcMe20.754
C3OMe55.754
C4OMe56.084
C12G64.361
C20B80.581
C11A2112.731
C7B2112.731
C8B5118.531
C6B6121.041
C9A6122.341
C5B1122.971
C10A5123.661
C15A1133.671
C18A4144.381
C17B4146.821
C16B3150.431
C19A3151.471
C14A4AcC=O168.301
C13GAcC=O170.821
C21A194.591

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.484
C2AcMe20.644
C3OMe56.164
C4OMe56.464
C12G64.661
C20B80.501
C11A2113.451
C7B2113.931
C8B5118.581
C6B6121.671
C9A6122.811
C5B1124.041
C10A5124.041
C15A1134.871
C18A4145.351
C17B4147.861
C16B3151.401
C19A3152.501
C14A4AcC=O168.581
C13GAcC=O170.901
C21A195.101
H30AcMe1.984
H31AcMe1.984
H32AcMe1.984
H35AcMe2.274
H34AcMe2.274
H33AcMe2.274
H37OMe3.764
H36OMe3.764
H38OMe3.764
H39OMe3.884
H40OMe3.884
H41OMe3.884
H49G14.491
H50G24.651
H51B5.841
H48A27.811
H46A67.811
H47A57.231