| SpectraBase Compound ID | DmQUSUuloMZ |
|---|---|
| InChI | InChI=1S/C22H34O3/c1-14(2)15-8-9-17-16(12-15)18(24-5)13-19-21(17,3)10-7-11-22(19,4)20(23)25-6/h12,14,18-19H,7-11,13H2,1-6H3/t18-,19?,21-,22-/m1/s1 |
| InChIKey | ZPQMGHMAZYICAS-BAWFOZSCSA-N |
| Mol Weight | 346.5 g/mol |
| Molecular Formula | C22H34O3 |
| Exact Mass | 346.250795 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LaBYfBO8qGI |
|---|---|
| Name | Methyl 7-.alpha.-methoxy-palustrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.250794952 u |
| Formula | C22H34O3 |
| InChI | InChI=1S/C22H34O3/c1-14(2)15-8-9-17-16(12-15)18(24-5)13-19-21(17,3)10-7-11-22(19,4)20(23)25-6/h12,14,18-19H,7-11,13H2,1-6H3/t18-,19?,21-,22-/m1/s1 |
| InChIKey | ZPQMGHMAZYICAS-BAWFOZSCSA-N |
| Molecular Weight | 346.511 g/mol |
| SMILES | C12=C(C=C(CC2)C(C)C)[C@](OC)(CC2[C@@]1(CCC[C@]2(C(=O)OC)C)C)[H] |