| SpectraBase Compound ID | HMbd9Q6oY5c |
|---|---|
| InChI | InChI=1S/C22H30O4/c1-13-7-8-18-19(22(18,5)6)12-15(3)21(25)20(26-16(4)23)11-14(2)10-17(24)9-13/h9,11-12,18-20H,7-8,10H2,1-6H3/b13-9-,14-11+,15-12+/t18-,19+,20+/m1/s1 |
| InChIKey | OORSXVLJUAXKCY-HVXATWABSA-N |
| Mol Weight | 358.48 g/mol |
| Molecular Formula | C22H30O4 |
| Exact Mass | 358.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LEPQVWDOmno |
|---|---|
| Name | 4-Acetoxy-14-dehydro-agrostistachin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 358.214409442 u |
| Formula | C22H30O4 |
| InChI | InChI=1S/C22H30O4/c1-13-7-8-18-19(22(18,5)6)12-15(3)21(25)20(26-16(4)23)11-14(2)10-17(24)9-13/h9,11-12,18-20H,7-8,10H2,1-6H3/b13-9-,14-11+,15-12+/t18-,19+,20+/m1/s1 |
| InChIKey | OORSXVLJUAXKCY-HVXATWABSA-N |
| Molecular Weight | 358.478 g/mol |
| SMILES | [C@@]12(C(C)(C)[C@@]2(CC\C(=C/C(=O)C\C(=C\[C@@](C(\C(=C\1)C)=O)(OC(=O)C)[H])C)C)[H])[H] |