| SpectraBase Compound ID | 70oC2rWR7qC |
|---|---|
| InChI | InChI=1S/C20H28O/c1-15-6-9-18-19(2,3)11-5-12-20(18,4)17(15)8-7-16-10-13-21-14-16/h7-8,10,13-14,17-18H,1,5-6,9,11-12H2,2-4H3/b8-7+/t17-,18-,20+/m0/s1 |
| InChIKey | QXVXYNOIXUIXBI-NDLVVHCESA-N |
| Mol Weight | 284.44 g/mol |
| Molecular Formula | C20H28O |
| Exact Mass | 284.214016 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1X5O2zkcuml |
|---|---|
| Name | Coronarin E |
| Appearance | Colorless oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H28O |
| InChI | InChI=1S/C20H28O/c1-15-6-9-18-19(2,3)11-5-12-20(18,4)17(15)8-7-16-10-13-21-14-16/h7-8,10,13-14,17-18H,1,5-6,9,11-12H2,2-4H3/b8-7+/t17-,18-,20+/m0/s1 |
| InChIKey | QXVXYNOIXUIXBI-NDLVVHCESA-N |
| Instrument Name | Varian Saturn GC/MS 2000 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np030166o |
| Molecular Weight | 284.443 g/mol |
| Optical Rotation | [a]D24 = +25 (c = 1.7, CHCl3) |
| SMILES | C1C[C@]2([C@](C(C1)(C)C)(CCC([C@@]2(\C=C\c1cocc1)[H])=C)[H])C |
| SPLASH | splash10-001j-1490000000-1150612ab185e578f5ab |
| Source of Spectrum | G4-66-1626-1 |
| Wiley ID | 1883926 |