| SpectraBase Compound ID | 9ji8X7cMtTI |
|---|---|
| InChI | InChI=1S/C20H30O/c1-17(12-21)6-4-7-18(2)15(17)5-8-20-10-14-13(9-16(18)20)19(14,3)11-20/h12-16H,4-11H2,1-3H3 |
| InChIKey | KHSBNJXREDZLMJ-UHFFFAOYSA-N |
| Mol Weight | 286.46 g/mol |
| Molecular Formula | C20H30O |
| Exact Mass | 286.229666 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BcfXJ7flW9O |
|---|---|
| Name | Trachyloban-18-al, (4.alpha.)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.229665585 u |
| Formula | C20H30O |
| InChI | InChI=1S/C20H30O/c1-17(12-21)6-4-7-18(2)15(17)5-8-20-10-14-13(9-16(18)20)19(14,3)11-20/h12-16H,4-11H2,1-3H3 |
| InChIKey | KHSBNJXREDZLMJ-UHFFFAOYSA-N |
| SMILES | C12C3(C)CC4(C(C2)C2(CCCC(C2CC4)(C=O)C)C)CC13 |