| SpectraBase Compound ID | IWNASJUga17 |
|---|---|
| InChI | InChI=1S/C21H28O/c1-4-15-5-6-18-17-8-12-21(11-7-16(22)13-14(21)2)19(17)9-10-20(15,18)3/h4,7,11,13,15,17-19H,1,5-6,8-10,12H2,2-3H3/t15-,17-,18-,19-,20+,21+/m0/s1 |
| InChIKey | WBURTZSEYTVSRX-OPJRWSFGSA-N |
| Mol Weight | 296.45 g/mol |
| Molecular Formula | C21H28O |
| Exact Mass | 296.214016 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3VwKIgsJbE |
|---|---|
| Name | Carijodienone |
| Appearance | Colorless oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H28O |
| InChI | InChI=1S/C21H28O/c1-4-15-5-6-18-17-8-12-21(11-7-16(22)13-14(21)2)19(17)9-10-20(15,18)3/h4,7,11,13,15,17-19H,1,5-6,8-10,12H2,2-3H3/t15-,17-,18-,19-,20+,21+/m0/s1 |
| InChIKey | WBURTZSEYTVSRX-OPJRWSFGSA-N |
| Instrument Name | Micromass Autospec |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np1007608 |
| Molecular Weight | 296.454 g/mol |
| Optical Rotation | [a]D20 = -11.5 (c = 0.26, CH2Cl2) |
| Reported Formula | C21H28O |
| SMILES | C1(C=C[C@@]2(C(=C1)C)[C@@]1([C@@](CC2)([C@]2([C@](CC1)([C@](CC2)(C=C)[H])C)[H])[H])[H])=O |
| SPLASH | splash10-00fs-2590000000-e6e179722b1b25638766 |
| Source of Spectrum | G4-74-295-1 |
| Wiley ID | 1849052 |