| SpectraBase Compound ID | 3eU8HlUXH4D |
|---|---|
| InChI | InChI=1S/C15H22O2/c1-9(2)14-12-7-10(3)5-6-15(12,17)11(4)8-13(14)16/h8,10,12,14,17H,1,5-7H2,2-4H3/t10-,12-,14-,15+/m0/s1 |
| InChIKey | HOLIHXDZFDKQLT-HQRZJTNHSA-N |
| Mol Weight | 234.34 g/mol |
| Molecular Formula | C15H22O2 |
| Exact Mass | 234.16198 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LjEE3f21W9j |
|---|---|
| Name | Xenotorin E |
| Appearance | Colorless oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H22O2 |
| InChI | InChI=1S/C15H22O2/c1-9(2)14-12-7-10(3)5-6-15(12,17)11(4)8-13(14)16/h8,10,12,14,17H,1,5-7H2,2-4H3/t10-,12-,14-,15+/m0/s1 |
| InChIKey | HOLIHXDZFDKQLT-HQRZJTNHSA-N |
| Instrument Name | JEOL JMS-SX/SX 102A |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np0203281 |
| Molecular Weight | 234.339 g/mol |
| Optical Rotation | [a]D25 = -10 (c = 0.18, CHCl3) |
| Reported Formula | C15H22O2 |
| SMILES | O[C@]12CC[C@@](C[C@]2([C@@](C(C=C1C)=O)(C(C)=C)[H])[H])(C)[H] |
| SPLASH | splash10-004i-0900000000-71ed964729ce3c4a1742 |
| Source of Spectrum | G4-65-1856-5 |
| Wiley ID | 1883586 |