| SpectraBase Compound ID | AVomp9EgnQ7 |
|---|---|
| InChI | InChI=1S/C18H30O3/c1-12-14(7-10-21-13(2)19)18(5)9-6-8-17(3,4)16(18)11-15(12)20/h14-16,20H,1,6-11H2,2-5H3/t14-,15+,16?,18+/m0/s1 |
| InChIKey | BRXGXGXCZOSZTB-CDVAVXMCSA-N |
| Mol Weight | 294.43 g/mol |
| Molecular Formula | C18H30O3 |
| Exact Mass | 294.219495 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B4CeWGwJWaI |
|---|---|
| Name | 12-Acetoxy-13,14,15,16-tetranor-8(17)-labden-7.alpha.-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.219494823 u |
| Formula | C18H30O3 |
| InChI | InChI=1S/C18H30O3/c1-12-14(7-10-21-13(2)19)18(5)9-6-8-17(3,4)16(18)11-15(12)20/h14-16,20H,1,6-11H2,2-5H3/t14-,15+,16?,18+/m0/s1 |
| InChIKey | BRXGXGXCZOSZTB-CDVAVXMCSA-N |
| SMILES | [C@]12(C(C[C@](C([C@@]2(CCOC(=O)C)[H])=C)(O)[H])C(C)(C)CCC1)C |