| SpectraBase Compound ID | CoPKkQED4vt |
|---|---|
| InChI | InChI=1S/C22H34O4/c1-14(17(13-25-15(2)23)16-11-20(24)26-12-16)18-7-8-19-21(3,4)9-6-10-22(18,19)5/h16-19H,1,6-13H2,2-5H3/t16?,17?,18-,19+,22-/m1/s1 |
| InChIKey | YSVPPISDEFLICG-QQFZYOHASA-N |
| Mol Weight | 362.5 g/mol |
| Molecular Formula | C22H34O4 |
| Exact Mass | 362.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 97zqrp1kKnr |
|---|---|
| Name | Cheloviolene C |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 362.245709571 u |
| Formula | C22H34O4 |
| InChI | InChI=1S/C22H34O4/c1-14(17(13-25-15(2)23)16-11-20(24)26-12-16)18-7-8-19-21(3,4)9-6-10-22(18,19)5/h16-19H,1,6-13H2,2-5H3/t16?,17?,18-,19+,22-/m1/s1 |
| InChIKey | YSVPPISDEFLICG-QQFZYOHASA-N |
| Molecular Weight | 362.510 g/mol |
| SMILES | [C@]12([C@@](C(C(C3CC(=O)OC3)COC(=O)C)=C)(CC[C@]1(C(C)(C)CCC2)[H])[H])C |