| SpectraBase Compound ID | CVKgOHKw9iP |
|---|---|
| InChI | InChI=1S/C20H32O4/c1-13(9-11-21)8-10-19(3)14(2)12-17(22)20(4)15(18(23)24)6-5-7-16(19)20/h6,9,14,16-17,21-22H,5,7-8,10-12H2,1-4H3,(H,23,24)/b13-9+/t14-,16-,17+,19+,20+/m1/s1 |
| InChIKey | GTOZGWPAQKVWLE-DLOZJNQXSA-N |
| Mol Weight | 336.5 g/mol |
| Molecular Formula | C20H32O4 |
| Exact Mass | 336.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EwetISWZE8y |
|---|---|
| Name | Salvicin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.230059506 u |
| Formula | C20H32O4 |
| InChI | InChI=1S/C20H32O4/c1-13(9-11-21)8-10-19(3)14(2)12-17(22)20(4)15(18(23)24)6-5-7-16(19)20/h6,9,14,16-17,21-22H,5,7-8,10-12H2,1-4H3,(H,23,24)/b13-9+/t14-,16-,17+,19+,20+/m1/s1 |
| InChIKey | GTOZGWPAQKVWLE-DLOZJNQXSA-N |
| Molecular Weight | 336.472 g/mol |
| SMILES | [C@]12([C@@]([C@](CC\C(=C\CO)C)(C)[C@@](C[C@@]2(O)[H])(C)[H])(CCC=C1C(=O)O)[H])C |