| SpectraBase Compound ID | Fc0kIcfqm0D |
|---|---|
| InChI | InChI=1S/C21H34O2/c1-16-8-10-18(11-9-16)21(5,23-15-22)14-12-19-17(2)7-6-13-20(19,3)4/h8,15,18-19H,2,6-7,9-14H2,1,3-5H3 |
| InChIKey | CNYCQWLLNYSCOQ-UHFFFAOYSA-N |
| Mol Weight | 318.5 g/mol |
| Molecular Formula | C21H34O2 |
| Exact Mass | 318.25588 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | R6WdEdVJf |
|---|---|
| Name | 2,11(18)-Obtusadien-7-ol - formiate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.255880333 u |
| Formula | C21H34O2 |
| InChI | InChI=1S/C21H34O2/c1-16-8-10-18(11-9-16)21(5,23-15-22)14-12-19-17(2)7-6-13-20(19,3)4/h8,15,18-19H,2,6-7,9-14H2,1,3-5H3 |
| InChIKey | CNYCQWLLNYSCOQ-UHFFFAOYSA-N |
| Molecular Weight | 318.501 g/mol |
| SMILES | C1(C(=C)CCCC1(C)C)CCC(C1CC=C(CC1)C)(OC=O)C |