G-a-G-b-G (C30 H34 O9)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 538.58556
This is of the category: Trimers
Concentration: 66 mg/ml (Source: Sally Ralph)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C3 | AcMe | 20.69 | 4 |
| C4 | AcMe | 20.82 | 4 |
| C1 | CA | 21.05 | 1 |
| C2 | BA | 21.12 | 1 |
| C5 | OMe | 55.71 | 4 |
| C6 | OMe | 55.96 | 4 |
| C7 | OMe | 55.96 | 4 |
| C17 | G | 63.56 | 1 |
| C30 | A | 80.41 | 1 |
| C29 | B | 82.44 | 1 |
| C16 | A2 | 111.53 | 1 |
| C15 | B2 | 113.37 | 1 |
| C14 | C2 | 113.41 | 1 |
| C11 | C5 | 116.77 | 1 |
| C12 | B5 | 119.45 | 1 |
| C10 | A6 | 119.72 | 1 |
| C9 | B6 | 121.01 | 1 |
| C8 | C6 | 121.21 | 1 |
| C13 | A5 | 122.36 | 1 |
| C18 | C1 | 131.97 | 1 |
| C19 | B1 | 133.11 | 1 |
| C22 | A1 | 138.62 | 1 |
| C23 | A4 | 139.42 | 1 |
| C24 | C4 | 145.22 | 1 |
| C25 | B4 | 145.32 | 1 |
| C26 | C3 | 149.95 | 1 |
| C27 | B3 | 150.79 | 1 |
| C28 | A3 | 151.02 | 1 |
| C21 | A4AcC=O | 168.85 | 1 |
| C20 | GAcC=O | 170.91 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C3 | AcMe | 20.46 | 4 |
| C4 | AcMe | 20.65 | 4 |
| C1 | CA | 20.96 | 1 |
| C2 | BA | 21.05 | 1 |
| C5 | OMe | 56.11 | 4 |
| C6 | OMe | 56.19 | 4 |
| C7 | OMe | 56.28 | 4 |
| C17 | G | 65.62 | 1 |
| C30 | A | 81.09 | 1 |
| C29 | B | 82.14 | 1 |
| C16 | A2 | 112.70 | 1 |
| C15 | B2 | 114.51 | 1 |
| C14 | C2 | 114.54 | 1 |
| C11 | C5 | 117.73 | 1 |
| C12 | B5 | 119.80 | 1 |
| C10 | A6 | 120.54 | 1 |
| C9 | B6 | 121.64 | 1 |
| C8 | C6 | 121.80 | 1 |
| C13 | A5 | 123.13 | 1 |
| C18 | C1 | 132.54 | 1 |
| C19 | B1 | 133.32 | 1 |
| C22 | A1 | 138.11 | 1 |
| C23 | A4 | 140.48 | 1 |
| C24 | C4 | 146.01 | 1 |
| C25 | B4 | 146.37 | 1 |
| C26 | C3 | 151.12 | 1 |
| C27 | B3 | 151.69 | 1 |
| C28 | A3 | 152.03 | 1 |
| C21 | A4AcC=O | 168.89 | 1 |
| C20 | GAcC=O | 170.81 | 1 |
| H46 | AcMe | 1.90 | 4 |
| H47 | AcMe | 1.90 | 4 |
| H48 | AcMe | 1.90 | 4 |
| H50 | AcMe | 2.20 | 4 |
| H49 | AcMe | 2.20 | 4 |
| H51 | AcMe | 2.20 | 4 |
| H45 | BA | 2.20 | 4 |
| H44 | BA | 2.20 | 4 |
| H43 | BA | 2.20 | 4 |
| H40 | CA | 2.24 | 4 |
| H41 | CA | 2.24 | 4 |
| H42 | CA | 2.24 | 4 |
| H53 | OMe | 3.75 | 4 |
| H54 | OMe | 3.75 | 4 |
| H52 | OMe | 3.75 | 4 |
| H55 | OMe | 3.79 | 4 |
| H57 | OMe | 3.79 | 4 |
| H56 | OMe | 3.79 | 4 |
| H60 | OMe | 3.83 | 4 |
| H59 | OMe | 3.83 | 4 |
| H58 | OMe | 3.83 | 4 |
| H70 | G1 | 4.43 | 1 |
| H71 | G2 | 4.54 | 1 |
| H72 | B | 4.74 | 1 |
| H73 | A | 5.55 | 1 |
| H61 | C6 | 6.53 | 1 |
| H62 | B6 | 6.61 | 1 |
| H64 | C5 | 6.76 | 1 |
| H68 | B2 | 6.78 | 1 |
| H67 | C2 | 6.78 | 1 |
| H65 | B5 | 6.83 | 1 |
| H66 | A5 | 6.98 | 1 |
| H63 | A6 | 7.05 | 1 |
| H69 | A2 | 7.33 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C3 | AcMe | 20.34 | 4 |
| C4 | AcMe | 20.44 | 4 |
| C1 | CA | 20.56 | 1 |
| C2 | BA | 20.61 | 1 |
| C5 | OMe | 55.48 | 4 |
| C6 | OMe | 55.63 | 4 |
| C7 | OMe | 55.63 | 4 |
| C17 | G | 62.46 | 1 |
| C30 | A | 79.08 | 1 |
| C29 | B | 80.19 | 1 |
| C16 | A2 | 111.79 | 1 |
| C15 | B2 | 113.58 | 1 |
| C14 | C2 | 113.58 | 1 |
| C11 | C5 | 116.22 | 1 |
| C12 | B5 | 117.84 | 1 |
| C10 | A6 | 119.51 | 1 |
| C9 | B6 | 120.67 | 1 |
| C8 | C6 | 120.77 | 1 |
| C13 | A5 | 122.30 | 1 |
| C18 | C1 | 131.23 | 1 |
| C19 | B1 | 131.83 | 1 |
| C22 | A1 | 136.70 | 1 |
| C23 | A4 | 138.81 | 1 |
| C24 | C4 | 144.25 | 1 |
| C25 | B4 | 144.77 | 1 |
| C26 | C3 | 149.52 | 1 |
| C27 | B3 | 150.00 | 1 |
| C28 | A3 | 150.45 | 1 |
| C21 | A4AcC=O | 168.39 | 1 |
| C20 | GAcC=O | 170.13 | 1 |