H-b-S-OH (C18 H22 O6)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 334.36368
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 |
|---|---|---|---|
| C1 | BA | 22.01 | 1 |
| C2 | OMe | 56.19 | 1 |
| C3 | OMe | 56.19 | 1 |
| C10 | G | 60.50 | 1 |
| C17 | A | 74.10 | 1 |
| C16 | B | 89.14 | 1 |
| C8 | B2 | 106.16 | 1 |
| C9 | B6 | 106.16 | 1 |
| C6 | A3 | 115.56 | 1 |
| C7 | A5 | 115.56 | 1 |
| C4 | A2 | 128.75 | 1 |
| C5 | A6 | 128.75 | 1 |
| C12 | A1 | 131.26 | 1 |
| C18 | B4 | 133.02 | 1 |
| C11 | B1 | 134.77 | 1 |
| C14 | B3 | 152.69 | 1 |
| C15 | B5 | 152.69 | 1 |
| C13 | A4 | 156.28 | 1 |
| H27 | BA | 2.36 | 1 |
| H26 | BA | 2.36 | 1 |
| H25 | BA | 2.36 | 1 |
| H40 | G1 | 3.32 | 1 |
| H41 | G2 | 3.57 | 1 |
| H42 | B | 3.87 | 1 |
| H28 | OMe | 3.90 | 1 |
| H29 | OMe | 3.90 | 1 |
| H30 | OMe | 3.90 | 1 |
| H33 | OMe | 3.90 | 1 |
| H31 | OMe | 3.90 | 1 |
| H32 | OMe | 3.90 | 1 |
| H43 | A | 5.03 | 1 |
| H38 | B2 | 6.47 | 1 |
| H39 | B6 | 6.47 | 1 |
| H36 | A3 | 6.72 | 1 |
| H37 | A5 | 6.72 | 1 |
| H34 | A2 | 7.26 | 1 |
| H35 | A6 | 7.26 | 1 |
| C10 | G | 60.6 | 1 |
| C17 | A | 72.4 | 1 |
| C16 | B | 87.0 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | BA | 21.78 | 1 |
| C2 | OMe | 56.48 | 1 |
| C3 | OMe | 56.48 | 1 |
| C10 | G | 61.06 | 1 |
| C17 | A | 73.95 | 1 |
| C16 | B | 89.98 | 1 |
| C8 | B2 | 107.12 | 1 |
| C9 | B6 | 107.12 | 1 |
| C6 | A3 | 115.58 | 1 |
| C7 | A5 | 115.58 | 1 |
| C4 | A2 | 129.22 | 1 |
| C5 | A6 | 129.22 | 1 |
| C12 | A1 | 133.06 | 1 |
| C18 | B4 | 134.67 | 1 |
| C11 | B1 | 134.84 | 1 |
| C14 | B3 | 153.67 | 1 |
| C15 | B5 | 153.67 | 1 |
| C13 | A4 | 157.68 | 1 |
| H27 | BA | 2.28 | 1 |
| H26 | BA | 2.28 | 1 |
| H25 | BA | 2.28 | 1 |
| H40 | G1 | 3.21 | 1 |
| H41 | G2 | 3.60 | 1 |
| H42 | B | 3.82 | 1 |
| H28 | OMe | 3.85 | 1 |
| H29 | OMe | 3.85 | 1 |
| H30 | OMe | 3.85 | 1 |
| H33 | OMe | 3.85 | 1 |
| H31 | OMe | 3.85 | 1 |
| H32 | OMe | 3.85 | 1 |
| H43 | A | 4.98 | 1 |
| H38 | B2 | 6.55 | 1 |
| H39 | B6 | 6.55 | 1 |
| H36 | A3 | 6.78 | 1 |
| H37 | A5 | 6.78 | 1 |
| H34 | A2 | 7.27 | 1 |
| H35 | A6 | 7.27 | 1 |
| C10 | G | 60.8 | 1 |
| C17 | A | 73.1 | 1 |
| C16 | B | 87.8 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | BA | 21.34 | 1 |
| C2 | OMe | 55.86 | 1 |
| C3 | OMe | 55.86 | 1 |
| C10 | G | 60.08 | 1 |
| C17 | A | 71.53 | 1 |
| C16 | B | 87.36 | 1 |
| C8 | B2 | 106.33 | 1 |
| C9 | B6 | 106.33 | 1 |
| C6 | A3 | 114.37 | 1 |
| C7 | A5 | 114.37 | 1 |
| C4 | A2 | 127.88 | 1 |
| C5 | A6 | 127.88 | 1 |
| C12 | A1 | 132.21 | 1 |
| C18 | B4 | 132.86 | 1 |
| C11 | B1 | 133.93 | 1 |
| C14 | B3 | 152.32 | 1 |
| C15 | B5 | 152.32 | 1 |
| C13 | A4 | 156.23 | 1 |