| SpectraBase Compound ID | KN37ljSxPSZ |
|---|---|
| InChI | InChI=1S/C17H30O2/c1-15(2)8-6-9-16(3)13-7-5-10-19-17(13,4)11-12(18)14(15)16/h12-14,18H,5-11H2,1-4H3 |
| InChIKey | PJZDQIGNLCWGIY-UHFFFAOYSA-N |
| Mol Weight | 266.42 g/mol |
| Molecular Formula | C17H30O2 |
| Exact Mass | 266.22458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AiSec6rto37 |
|---|---|
| Name | 14,15,16-Trinor-8.xi.-labdan-6.beta.-ol, 8,13-epoxy- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.224580204 u |
| Formula | C17H30O2 |
| InChI | InChI=1S/C17H30O2/c1-15(2)8-6-9-16(3)13-7-5-10-19-17(13,4)11-12(18)14(15)16/h12-14,18H,5-11H2,1-4H3 |
| InChIKey | PJZDQIGNLCWGIY-UHFFFAOYSA-N |
| Molecular Weight | 266.425 g/mol |
| SMILES | CC12C3C(C)(CC(C2C(C)(C)CCC1)O)OCCC3 |