| SpectraBase Compound ID | LJKO3QErzEE |
|---|---|
| InChI | InChI=1S/C20H30O2/c1-14-16(9-8-15-7-5-12-22-15)20(4)11-6-10-19(2,3)18(20)13-17(14)21/h5,7,12,14,16,18H,6,8-11,13H2,1-4H3/t14-,16-,18-,20+/m0/s1 |
| InChIKey | VUQHGTRVIBSUKN-PFSLXQJOSA-N |
| Mol Weight | 302.46 g/mol |
| Molecular Formula | C20H30O2 |
| Exact Mass | 302.22458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 53mI2tzyYVm |
|---|---|
| Name | 13,14,15,16-Tetranor-12-(2'-furyl)-labdan-7-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.224580204 u |
| Formula | C20H30O2 |
| InChI | InChI=1S/C20H30O2/c1-14-16(9-8-15-7-5-12-22-15)20(4)11-6-10-19(2,3)18(20)13-17(14)21/h5,7,12,14,16,18H,6,8-11,13H2,1-4H3/t14-,16-,18-,20+/m0/s1 |
| InChIKey | VUQHGTRVIBSUKN-PFSLXQJOSA-N |
| SMILES | [C@]12([C@@](CC(=O)[C@]([C@@]2(CCC=2OC=CC2)[H])(C)[H])(C(CCC1)(C)C)[H])C |