G-beta-S5 (C29 H36 O11)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 560.58954
This is of the category: b-O-4 Dimers, 3-Carbon Sidechain
Concentration: Saturated (Source: John Ralph Lab)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AcMe | 20.64 | 4 |
| C3 | AcMe | 20.70 | 4 |
| C4 | AcMe | 21.00 | 4 |
| C5 | AcMe | 21.34 | 4 |
| C1 | BB | 22.23 | 1 |
| C6 | AOMe | 55.99 | 1 |
| C7 | BOMe | 56.02 | 4 |
| C8 | BOMe | 56.02 | 4 |
| C14 | G | 63.48 | 1 |
| C15 | BA | 72.38 | 1 |
| C27 | A | 75.25 | 1 |
| C26 | B | 80.59 | 1 |
| C12 | B2 | 103.21 | 3 |
| C13 | B6 | 103.21 | 3 |
| C11 | A2 | 111.92 | 1 |
| C9 | A6 | 119.65 | 1 |
| C10 | A5 | 122.51 | 1 |
| C20 | A1 | 135.96 | 1 |
| C21 | B1 | 135.96 | 1 |
| C28 | B4 | 137.54 | 1 |
| C22 | A4 | 139.72 | 1 |
| C23 | A3 | 150.91 | 1 |
| C24 | B3 | 152.91 | 3 |
| C25 | B5 | 152.91 | 3 |
| C17 | A4AcC=O | 168.80 | 1 |
| C16 | AcC=O | 169.71 | 1 |
| C18 | AcC=O | 170.19 | 1 |
| C19 | AcC=O | 170.54 | 1 |
| H44 | AcMe | 1.99 | 4 |
| H45 | AcMe | 1.99 | 4 |
| H46 | AcMe | 1.99 | 4 |
| H47 | AcMe | 2.06 | 4 |
| H48 | AcMe | 2.06 | 4 |
| H49 | AcMe | 2.06 | 4 |
| H50 | AcMe | 2.07 | 4 |
| H51 | AcMe | 2.07 | 4 |
| H52 | AcMe | 2.07 | 4 |
| H53 | AcMe | 2.30 | 4 |
| H54 | AcMe | 2.30 | 4 |
| H55 | AcMe | 2.30 | 4 |
| H41 | BB | 1.51 | 2 |
| H42 | BB | 1.51 | 2 |
| H43 | BB | 1.51 | 2 |
| H56 | AOMe | 3.82 | 2 |
| H57 | AOMe | 3.82 | 2 |
| H58 | AOMe | 3.82 | 2 |
| H59 | BOMe | 3.77 | 4 |
| H60 | BOMe | 3.77 | 4 |
| H61 | BOMe | 3.77 | 4 |
| H62 | BOMe | 3.77 | 4 |
| H63 | BOMe | 3.77 | 4 |
| H64 | BOMe | 3.77 | 4 |
| H70 | G1 | 3.95 | 4 |
| H71 | G2 | 4.34 | 4 |
| H73 | B | 4.54 | 1 |
| H72 | BA | 5.79 | 1 |
| H74 | A | 6.15 | 1 |
| H68 | B2 | 6.54 | 3 |
| H69 | B6 | 6.54 | 3 |
| H67 | A2 | 7.08 | 1 |
| H66 | A5 | 6.99 | 1 |
| H65 | A6 | 6.99 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AcMe | 20.45 | 4 |
| C3 | AcMe | 20.58 | 4 |
| C4 | AcMe | 20.92 | 4 |
| C5 | AcMe | 21.14 | 4 |
| C1 | BB | 22.57 | 1 |
| C6 | AOMe | 56.28 | 1 |
| C7 | BOMe | 56.39 | 4 |
| C8 | BOMe | 56.39 | 4 |
| C14 | G | 64.17 | 1 |
| C15 | BA | 72.71 | 1 |
| C27 | A | 76.25 | 1 |
| C26 | B | 81.38 | 1 |
| C12 | B2 | 104.01 | 3 |
| C13 | B6 | 104.01 | 3 |
| C11 | A2 | 112.64 | 1 |
| C9 | A6 | 120.24 | 1 |
| C10 | A5 | 123.34 | 1 |
| C20 | A1 | 136.92 | 1 |
| C21 | B1 | 137.14 | 1 |
| C28 | B4 | 138.78 | 1 |
| C22 | A4 | 140.71 | 1 |
| C23 | A3 | 152.02 | 1 |
| C24 | B3 | 153.79 | 3 |
| C25 | B5 | 153.79 | 3 |
| C17 | A4AcC=O | 168.86 | 1 |
| C16 | AcC=O | 169.85 | 1 |
| C18 | AcC=O | 170.16 | 1 |
| C19 | AcC=O | 170.57 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AcMe | 20.30 | 4 |
| C3 | AcMe | 20.60 | 4 |
| C4 | AcMe | 20.95 | 4 |
| C5 | AcMe | 22.01 | 4 |
| C1 | BB | 22.06 | 1 |
| C6 | AOMe | 55.78 | 1 |
| C7 | BOMe | 55.78 | 4 |
| C8 | BOMe | 55.78 | 4 |
| C14 | G | 63.14 | 1 |
| C15 | BA | 71.70 | 1 |
| C27 | A | 75.28 | 1 |
| C26 | B | 80.11 | 1 |
| C12 | B2 | 102.88 | 3 |
| C13 | B6 | 102.88 | 3 |
| C11 | A2 | 111.53 | 1 |
| C9 | A6 | 119.25 | 1 |
| C10 | A5 | 122.53 | 1 |
| C20 | A1 | 135.25 | 1 |
| C21 | B1 | 135.84 | 1 |
| C28 | B4 | 137.44 | 1 |
| C22 | A4 | 139.08 | 1 |
| C23 | A3 | 150.58 | 1 |
| C24 | B3 | 152.30 | 3 |
| C25 | B5 | 152.30 | 3 |
| C17 | A4AcC=O | 168.37 | 1 |
| C16 | AcC=O | 169.25 | 1 |
| C18 | AcC=O | 169.56 | 1 |
| C19 | AcC=O | 169.89 | 1 |