Pinoresinol Diacetate (C24 H26 O8)

bmse010049 Data

Entry STAR file: bmse010049.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: 442.45844

This is of the category: b-b Dimers

Concentration: Saturated (Source: John Pew)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

Pinoresinol Diacetate image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.621
C2AcMe20.621
C17B54.361
C18B54.361
C3OMe55.921
C4OMe55.921
C11G71.951
C12G71.951
C23A85.501
C24A85.501
C92109.911
C102109.911
C56117.921
C66117.921
C75122.741
C85122.741
C194139.131
C204139.131
C151140.111
C161140.111
C213151.231
C223151.231
C13AcC=O168.991
C14AcC=O168.991
H35AcMe2.301
H33AcMe2.301
H34AcMe2.301
H36AcMe2.301
H38AcMe2.301
H37AcMe2.301
H39OMe3.831
H40OMe3.831
H41OMe3.831
H44OMe3.831
H43OMe3.831
H42OMe3.831
H55B3.081
H56B3.081
H51G13.921
H53G13.921
H52G24.271
H54G24.271
H57A4.781
H58A4.781
H4566.881
H4666.881
H4926.991
H5026.991
H4757.001
H4857.001

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.481
C2AcMe20.481
C17B55.421
C18B55.421
C3OMe56.231
C4OMe56.231
C11G72.581
C12G72.581
C23A86.221
C24A86.221
C92111.121
C102111.121
C56118.631
C66118.631
C75123.461
C85123.461
C194140.151
C204140.151
C151141.801
C161141.801
C213152.281
C223152.281
C13AcC=O168.981
C14AcC=O168.981

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.281
C2AcMe20.281
C17B53.751
C18B53.751
C3OMe55.671
C4OMe55.671
C11G71.241
C12G71.241
C23A84.641
C24A84.641
C92110.331
C102110.331
C56117.781
C66117.781
C75122.501
C85122.501
C194138.421
C204138.421
C151140.411
C161140.411
C213150.701
C223150.701
C13AcC=O168.441
C14AcC=O168.441