Veratrone Acetate (C20 H22 O7)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 374.38448
This is of the category: b-O-4 Dimers, 3-Carbon Sidechain, a-C=O
Concentration: 70 mg/ml (Source: Larry L. Landucci)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.78 | 1 |
| C2 | OMe | 55.79 | 4 |
| C3 | OMe | 55.96 | 4 |
| C4 | OMe | 56.07 | 4 |
| C12 | G | 64.62 | 1 |
| C19 | B | 80.28 | 1 |
| C11 | A2 | 110.22 | 1 |
| C10 | A5 | 111.10 | 1 |
| C7 | B2 | 112.67 | 1 |
| C8 | B5 | 118.05 | 1 |
| C6 | B6 | 120.96 | 1 |
| C9 | A6 | 123.33 | 1 |
| C5 | B1 | 123.76 | 1 |
| C14 | A1 | 128.04 | 1 |
| C17 | B4 | 146.92 | 1 |
| C18 | A3 | 149.04 | 1 |
| C15 | B3 | 150.32 | 1 |
| C16 | A4 | 153.88 | 1 |
| C13 | AcC=O | 170.84 | 1 |
| C20 | A | 194.05 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.64 | 1 |
| C2 | OMe | 56.05 | 4 |
| C3 | OMe | 56.17 | 4 |
| C4 | OMe | 56.22 | 4 |
| C12 | G | 64.85 | 1 |
| C19 | B | 80.00 | 1 |
| C11 | A2 | 111.59 | 1 |
| C10 | A5 | 112.06 | 1 |
| C7 | B2 | 113.85 | 1 |
| C8 | B5 | 117.99 | 1 |
| C6 | B6 | 121.57 | 1 |
| C9 | A6 | 123.69 | 1 |
| C5 | B1 | 124.27 | 1 |
| C14 | A1 | 128.96 | 1 |
| C17 | B4 | 147.95 | 1 |
| C18 | A3 | 150.13 | 1 |
| C15 | B3 | 151.25 | 1 |
| C16 | A4 | 155.11 | 1 |
| C13 | AcC=O | 170.89 | 1 |
| C20 | A | 194.24 | 1 |
| H28 | AcMe | 1.98 | 1 |
| H29 | AcMe | 1.98 | 1 |
| H30 | AcMe | 1.98 | 1 |
| H31 | OMe | 3.77 | 4 |
| H32 | OMe | 3.77 | 4 |
| H33 | OMe | 3.77 | 4 |
| H34 | OMe | 3.85 | 4 |
| H35 | OMe | 3.85 | 4 |
| H36 | OMe | 3.85 | 4 |
| H37 | OMe | 3.89 | 4 |
| H38 | OMe | 3.89 | 4 |
| H39 | OMe | 3.89 | 4 |
| H47 | G1 | 4.47 | 1 |
| H48 | G2 | 4.62 | 1 |
| H49 | B | 5.81 | 1 |
| H54 | A5 | 7.06 | 1 |
| H46 | A2 | 7.66 | 1 |
| H44 | A6 | 7.84 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.44 | 1 |
| C2 | OMe | 55.40 | 4 |
| C3 | OMe | 55.53 | 4 |
| C4 | OMe | 55.74 | 4 |
| C12 | G | 63.60 | 1 |
| C19 | B | 79.08 | 1 |
| C11 | A2 | 110.70 | 1 |
| C10 | A5 | 110.98 | 1 |
| C7 | B2 | 112.88 | 1 |
| C8 | B5 | 115.61 | 1 |
| C6 | B6 | 120.53 | 1 |
| C9 | A6 | 122.28 | 1 |
| C5 | B1 | 123.23 | 1 |
| C14 | A1 | 127.29 | 1 |
| C17 | B4 | 146.33 | 1 |
| C18 | A3 | 148.58 | 1 |
| C15 | B3 | 149.37 | 1 |
| C16 | A4 | 153.67 | 1 |
| C13 | AcC=O | 170.00 | 1 |
| C20 | A | 193.22 | 1 |