2,3-Diacetoxypropioveratrone (C15 H18 O7)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 310.29922
This is of the category: Monomers
Concentration: 42 mg/ml (Source: Mike Mozuch)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.67 | 4 |
| C2 | AcMe | 20.72 | 4 |
| C3 | OMe | 56.05 | 4 |
| C4 | OMe | 56.15 | 4 |
| C8 | G | 63.22 | 1 |
| C14 | B | 72.99 | 1 |
| C7 | 2 | 110.32 | 1 |
| C6 | 5 | 110.64 | 1 |
| C5 | 6 | 123.33 | 1 |
| C11 | 1 | 127.41 | 1 |
| C13 | 3 | 149.31 | 1 |
| C12 | 4 | 154.16 | 1 |
| C9 | AcC=O | 170.21 | 4 |
| C10 | AcC=O | 170.75 | 4 |
| C15 | A | 191.52 | 1 |
| H23 | AcMe | 2.08 | 4 |
| H25 | AcMe | 2.08 | 4 |
| H24 | AcMe | 2.08 | 4 |
| H28 | AcMe | 2.19 | 4 |
| H27 | AcMe | 2.19 | 4 |
| H26 | AcMe | 2.19 | 4 |
| H29 | OMe | 3.95 | 1 |
| H31 | OMe | 3.95 | 1 |
| H30 | OMe | 3.95 | 1 |
| H33 | OMe | 3.95 | 1 |
| H34 | OMe | 3.95 | 1 |
| H32 | OMe | 3.95 | 1 |
| H38 | G1 | 4.25 | 2 |
| H39 | G2 | 4.68 | 2 |
| H40 | B | 6.18 | 1 |
| H37 | A2 | 7.56 | 1 |
| H36 | A5 | 6.93 | 1 |
| H35 | A6 | 7.71 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.49 | 4 |
| C2 | AcMe | 20.58 | 4 |
| C3 | OMe | 56.11 | 4 |
| C4 | OMe | 56.25 | 4 |
| C8 | G | 63.64 | 1 |
| C14 | B | 74.14 | 1 |
| C7 | 2 | 111.60 | 1 |
| C6 | 5 | 111.66 | 1 |
| C5 | 6 | 123.85 | 1 |
| C11 | 1 | 128.35 | 1 |
| C13 | 3 | 150.31 | 1 |
| C12 | 4 | 155.21 | 1 |
| C9 | AcC=O | 170.35 | 4 |
| C10 | AcC=O | 170.88 | 4 |
| C15 | A | 192.03 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.30 | 4 |
| C2 | AcMe | 20.42 | 4 |
| C3 | OMe | 55.51 | 4 |
| C4 | OMe | 55.77 | 4 |
| C8 | G | 62.60 | 1 |
| C14 | B | 73.28 | 1 |
| C7 | 2 | 110.35 | 1 |
| C6 | 5 | 111.03 | 1 |
| C5 | 6 | 123.02 | 1 |
| C11 | 1 | 126.67 | 1 |
| C13 | 3 | 148.72 | 1 |
| C12 | 4 | 153.72 | 1 |
| C9 | AcC=O | 169.61 | 4 |
| C10 | AcC=O | 170.03 | 4 |
| C15 | A | 191.18 | 1 |