| SpectraBase Compound ID | 3YpFlQ1mRTv |
|---|---|
| InChI | InChI=1S/C21H34O5/c1-13-15(22)16(23)17-18(2,3)7-6-8-19(17,4)21(13)10-9-20(26-21)11-14(24-5)25-12-20/h13-14,16-17,23H,6-12H2,1-5H3/t13-,14+,16-,17+,19+,20+,21-/m1/s1 |
| InChIKey | NZPBUNQOXRUEEE-JQYWCJBQSA-N |
| Mol Weight | 366.5 g/mol |
| Molecular Formula | C21H34O5 |
| Exact Mass | 366.240624 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7FDKWnYSU0s |
|---|---|
| Name | Sibiricinone E |
| Appearance | Colorless oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H34O5 |
| InChI | InChI=1S/C21H34O5/c1-13-15(22)16(23)17-18(2,3)7-6-8-19(17,4)21(13)10-9-20(26-21)11-14(24-5)25-12-20/h13-14,16-17,23H,6-12H2,1-5H3/t13-,14+,16-,17+,19+,20+,21-/m1/s1 |
| InChIKey | NZPBUNQOXRUEEE-JQYWCJBQSA-N |
| Instrument Name | Micromass 70-250S |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np030480i |
| Molecular Weight | 366.498 g/mol |
| Reported Formula | C21H34O5 |
| SMILES | O[C@@]1(C([C@]([C@]2([C@]3(CCCC([C@]13[H])(C)C)C)O[C@]1(CC2)CO[C@@](C1)(OC)[H])(C)[H])=O)[H] |
| SPLASH | splash10-0bta-4960000000-fb0fd0753caf1eeb6849 |
| Source of Spectrum | G4-67-716-6 |
| Wiley ID | 1881737 |