Lignin_cw_compound_272 (C19 H24 O10)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 412.38786
This is of the category: Monomers
Concentration: Saturated (Source: John Ralph Lab)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C4 | A4AcMe | 20.48 | 1 |
| C1 | GAcMe | 20.72 | 1 |
| C2 | BAcMe | 20.85 | 1 |
| C3 | AAcMe | 21.01 | 1 |
| C5 | OMe | 56.31 | 1 |
| C6 | OMe | 56.31 | 1 |
| C9 | G | 62.17 | 1 |
| C17 | B | 72.24 | 1 |
| C18 | A | 73.78 | 1 |
| C7 | 2 | 104.05 | 1 |
| C8 | 6 | 104.05 | 1 |
| C19 | 4 | 129.13 | 1 |
| C14 | 1 | 134.19 | 1 |
| C15 | 3 | 152.45 | 1 |
| C16 | 5 | 152.45 | 1 |
| C13 | A4AcC=O | 168.51 | 1 |
| C12 | AAcC=O | 169.67 | 1 |
| C11 | BAcC=O | 170.09 | 1 |
| C10 | GAcC=O | 170.43 | 1 |
| H31 | GAcMe | 2.06 | 1 |
| H30 | GAcMe | 2.06 | 1 |
| H32 | GAcMe | 2.06 | 1 |
| H33 | BAcMe | 2.08 | 1 |
| H35 | BAcMe | 2.08 | 1 |
| H34 | BAcMe | 2.08 | 1 |
| H37 | AAcMe | 2.10 | 1 |
| H38 | AAcMe | 2.10 | 1 |
| H36 | AAcMe | 2.10 | 1 |
| H40 | A4AcMe | 2.33 | 1 |
| H39 | A4AcMe | 2.33 | 1 |
| H41 | A4AcMe | 2.33 | 1 |
| H44 | OMe | 3.83 | 1 |
| H42 | OMe | 3.83 | 1 |
| H43 | OMe | 3.83 | 1 |
| H45 | OMe | 3.83 | 1 |
| H47 | OMe | 3.83 | 1 |
| H46 | OMe | 3.83 | 1 |
| H50 | G1 | 3.83 | 1 |
| H51 | G2 | 4.26 | 1 |
| H52 | B | 5.42 | 1 |
| H53 | A | 5.92 | 1 |
| H48 | 2 | 6.61 | 1 |
| H49 | 6 | 6.61 | 1 |
| C9 | G | 61.42 | 1 |
| C17 | B | 72.48 | 1 |
| C18 | A | 73.03 | 1 |
| C7 | 2 | 103.75 | 1 |
| C8 | 6 | 103.75 | 1 |
| C14 | 1 | 134.19 | 1 |
| C15 | 3 | 152.27 | 1 |
| C16 | 5 | 152.27 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C4 | A4AcMe | 20.23 | 1 |
| C1 | GAcMe | 20.55 | 1 |
| C2 | BAcMe | 20.71 | 1 |
| C3 | AAcMe | 20.83 | 1 |
| C5 | OMe | 56.58 | 1 |
| C6 | OMe | 56.58 | 1 |
| C9 | G | 62.85 | 1 |
| C17 | B | 72.99 | 1 |
| C18 | A | 74.45 | 1 |
| C7 | 2 | 104.76 | 1 |
| C8 | 6 | 104.76 | 1 |
| C19 | 4 | 129.79 | 1 |
| C14 | 1 | 135.85 | 1 |
| C15 | 3 | 153.30 | 1 |
| C16 | 5 | 153.30 | 1 |
| C13 | A4AcC=O | 168.42 | 1 |
| C12 | AAcC=O | 170.00 | 1 |
| C11 | BAcC=O | 170.21 | 1 |
| C10 | GAcC=O | 170.65 | 1 |
| H31 | GAcMe | 1.99 | 1 |
| H30 | GAcMe | 1.99 | 1 |
| H32 | GAcMe | 1.99 | 1 |
| H33 | BAcMe | 2.01 | 1 |
| H35 | BAcMe | 2.01 | 1 |
| H34 | BAcMe | 2.01 | 1 |
| H37 | AAcMe | 2.08 | 1 |
| H38 | AAcMe | 2.08 | 1 |
| H36 | AAcMe | 2.08 | 1 |
| H40 | A4AcMe | 2.21 | 1 |
| H39 | A4AcMe | 2.21 | 1 |
| H41 | A4AcMe | 2.21 | 1 |
| H44 | OMe | 3.81 | 1 |
| H42 | OMe | 3.81 | 1 |
| H43 | OMe | 3.81 | 1 |
| H45 | OMe | 3.81 | 1 |
| H47 | OMe | 3.81 | 1 |
| H46 | OMe | 3.81 | 1 |
| H50 | G1 | 3.91 | 1 |
| H51 | G2 | 4.23 | 1 |
| H52 | B | 5.41 | 1 |
| H53 | A | 5.95 | 1 |
| H48 | 2 | 6.80 | 1 |
| H49 | 6 | 6.80 | 1 |
| C9 | G | 62.34 | 1 |
| C17 | B | 72.99 | 1 |
| C18 | A | 73.76 | 1 |
| C7 | 2 | 104.67 | 1 |
| C8 | 6 | 104.67 | 1 |
| C14 | 1 | 135.63 | 1 |
| C15 | 3 | 153.19 | 1 |
| C16 | 5 | 153.19 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C4 | A4AcMe | 20.08 | 1 |
| C1 | GAcMe | 20.39 | 1 |
| C2 | BAcMe | 20.46 | 1 |
| C3 | AAcMe | 20.65 | 1 |
| C5 | OMe | 56.03 | 1 |
| C6 | OMe | 56.03 | 1 |
| C9 | G | 61.92 | 1 |
| C17 | B | 71.73 | 1 |
| C18 | A | 73.17 | 1 |
| C7 | 2 | 103.59 | 1 |
| C8 | 6 | 103.59 | 1 |
| C19 | 4 | 127.83 | 1 |
| C14 | 1 | 134.79 | 1 |
| C15 | 3 | 151.64 | 1 |
| C16 | 5 | 151.64 | 1 |
| C13 | A4AcC=O | 167.93 | 1 |
| C12 | AAcC=O | 169.43 | 1 |
| C11 | BAcC=O | 169.43 | 1 |
| C10 | GAcC=O | 169.95 | 1 |