| SpectraBase Compound ID | 1bM7sBCdDl |
|---|---|
| InChI | InChI=1S/C23H34O3/c1-7-15(2)22-17(4)14-19-20(25-5)13-12-16(3)23(19)18(22)10-8-9-11-21(24)26-6/h7-11,14,16,18-20,22-23H,12-13H2,1-6H3/b10-8+,11-9+,15-7+/t16-,18+,19-,20-,22+,23-/m0/s1 |
| InChIKey | TZZAPIBXWIULMX-HTPIZGIPSA-N |
| Mol Weight | 358.5 g/mol |
| Molecular Formula | C23H34O3 |
| Exact Mass | 358.250795 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6Qc8XrLY5LY |
|---|---|
| Name | Phomopsidin, methyl ester, methyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 358.250794952 u |
| Formula | C23H34O3 |
| InChI | InChI=1S/C23H34O3/c1-7-15(2)22-17(4)14-19-20(25-5)13-12-16(3)23(19)18(22)10-8-9-11-21(24)26-6/h7-11,14,16,18-20,22-23H,12-13H2,1-6H3/b10-8+,11-9+,15-7+/t16-,18+,19-,20-,22+,23-/m0/s1 |
| InChIKey | TZZAPIBXWIULMX-HTPIZGIPSA-N |
| Molecular Weight | 358.522 g/mol |
| SMILES | C1C[C@@]([C@@]2(C=C([C@]([C@]([C@@]2([C@]1(C)[H])[H])(\C=C\C=C\C(=O)OC)[H])(\C(=C\C)C)[H])C)[H])(OC)[H] |