| SpectraBase Compound ID | IBNzUfGvCPL |
|---|---|
| InChI | InChI=1S/C18H30O4/c1-4-5-6-7-8-15(20-2)16-11-9-13-14(19)10-12-17(21-3)18(13)22-16/h15-17H,4-12H2,1-3H3/t15-,16-,17+/m0/s1 |
| InChIKey | LKHKNXUTCOMWGL-YESZJQIVSA-N |
| Mol Weight | 310.43 g/mol |
| Molecular Formula | C18H30O4 |
| Exact Mass | 310.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gh5uca51Fbt |
|---|---|
| Name | Koninginin E, 2me derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.214409442 u |
| Formula | C18H30O4 |
| InChI | InChI=1S/C18H30O4/c1-4-5-6-7-8-15(20-2)16-11-9-13-14(19)10-12-17(21-3)18(13)22-16/h15-17H,4-12H2,1-3H3/t15-,16-,17+/m0/s1 |
| InChIKey | LKHKNXUTCOMWGL-YESZJQIVSA-N |
| SMILES | [C@@]1(CCC2=C(O1)[C@@](CCC2=O)(OC)[H])([C@](CCCCCC)(OC)[H])[H] |