G-b-S-r-S (C32 H38 O12)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 614.63692
This is of the category: Trimers
Concentration: 68 mg/ml (Source: Susana Luque)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C20 | BB | 54.32 | 1 |
| C19 | CB | 54.48 | 1 |
| C1 | OMe | 56.00 | 4 |
| C2 | OMe | 56.27 | 4 |
| C3 | OMe | 56.27 | 4 |
| C4 | OMe | 56.44 | 4 |
| C5 | OMe | 56.44 | 4 |
| C13 | G | 60.57 | 1 |
| C14 | CG | 71.76 | 1 |
| C15 | BG | 72.08 | 1 |
| C28 | A | 72.56 | 1 |
| C31 | BA | 85.98 | 1 |
| C30 | CA | 85.98 | 1 |
| C27 | B | 87.03 | 1 |
| C11 | B2 | 102.88 | 1 |
| C12 | B6 | 102.88 | 1 |
| C9 | C2 | 102.88 | 1 |
| C10 | C6 | 102.88 | 1 |
| C8 | A2 | 108.61 | 1 |
| C7 | A5 | 114.28 | 1 |
| C6 | A6 | 118.80 | 1 |
| C17 | C1 | 131.37 | 1 |
| C16 | A1 | 131.91 | 1 |
| C18 | B1 | 134.36 | 1 |
| C29 | C4 | 134.52 | 1 |
| C32 | B4 | 137.80 | 1 |
| C22 | A3 | 144.94 | 1 |
| C21 | A4 | 146.71 | 1 |
| C23 | C3 | 147.29 | 1 |
| C24 | C5 | 147.29 | 1 |
| C11 | B3 | 153.45 | 1 |
| C12 | B5 | 153.45 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C20 | BB | 55.23 | 1 |
| C19 | CB | 55.39 | 1 |
| C1 | OMe | 56.28 | 4 |
| C2 | OMe | 56.60 | 4 |
| C3 | OMe | 56.60 | 4 |
| C4 | OMe | 56.67 | 4 |
| C5 | OMe | 56.67 | 4 |
| C13 | G | 60.97 | 1 |
| C14 | CG | 72.38 | 1 |
| C15 | BG | 72.57 | 1 |
| C28 | A | 73.38 | 1 |
| C31 | BA | 86.57 | 1 |
| C30 | CA | 86.72 | 1 |
| C27 | B | 87.78 | 1 |
| C11 | B2 | 104.09 | 1 |
| C12 | B6 | 104.09 | 1 |
| C9 | C2 | 104.50 | 1 |
| C10 | C6 | 104.50 | 1 |
| C8 | A2 | 110.93 | 1 |
| C7 | A5 | 115.21 | 1 |
| C6 | A6 | 120.04 | 1 |
| C17 | C1 | 133.10 | 1 |
| C16 | A1 | 133.74 | 1 |
| C18 | B1 | 135.67 | 1 |
| C29 | C4 | 136.20 | 1 |
| C32 | B4 | 139.05 | 1 |
| C22 | A3 | 146.43 | 1 |
| C21 | A4 | 147.96 | 1 |
| C23 | C3 | 148.67 | 1 |
| C24 | C5 | 148.67 | 1 |
| C11 | B3 | 154.15 | 1 |
| C12 | B5 | 154.15 | 1 |
| H74 | BB | 3.11 | 1 |
| H73 | CB | 3.11 | 1 |
| H68 | G2 | 3.44 | 1 |
| H75 | B | 4.17 | 1 |
| H69 | CG | 4.22 | 1 |
| H70 | CG | 4.22 | 1 |
| H71 | BG | 4.22 | 1 |
| H72 | BG | 4.22 | 1 |
| H77 | CA | 4.67 | 1 |
| H78 | BA | 4.73 | 1 |
| H76 | A | 4.98 | 1 |
| H65 | B2 | 6.76 | 1 |
| H66 | B2 | 6.76 | 1 |
| H63 | C2 | 6.67 | 1 |
| H64 | C2 | 6.67 | 1 |
| H62 | A2 | 7.03 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C20 | BB | 53.61 | 1 |
| C19 | CB | 53.76 | 1 |
| C1 | OMe | 55.53 | 4 |
| C2 | OMe | 55.99 | 4 |
| C3 | OMe | 55.99 | 4 |
| C4 | OMe | 55.99 | 4 |
| C5 | OMe | 55.99 | 4 |
| C13 | G | 59.84 | 1 |
| C14 | CG | 71.13 | 1 |
| C15 | BG | 71.27 | 1 |
| C28 | A | 72.12 | 1 |
| C31 | BA | 85.12 | 1 |
| C30 | CA | 85.32 | 1 |
| C27 | B | 86.14 | 1 |
| C11 | B2 | 103.29 | 1 |
| C12 | B6 | 103.29 | 1 |
| C9 | C2 | 103.68 | 1 |
| C10 | C6 | 103.67 | 1 |
| C8 | A2 | 110.96 | 1 |
| C7 | A5 | 114.65 | 1 |
| C6 | A6 | 119.36 | 1 |
| C17 | C1 | 131.38 | 1 |
| C16 | A1 | 133.26 | 1 |
| C18 | B1 | 134.77 | 1 |
| C29 | C4 | 134.89 | 1 |
| C32 | B4 | 136.89 | 1 |
| C22 | A3 | 145.32 | 1 |
| C21 | A4 | 146.96 | 1 |
| C23 | C3 | 147.90 | 1 |
| C24 | C5 | 147.90 | 1 |
| C11 | B3 | 152.61 | 1 |
| C12 | B5 | 152.61 | 1 |