| SpectraBase Compound ID | Ins346Bo6i3 |
|---|---|
| InChI | InChI=1S/C22H34O4/c1-15-9-7-10-16(2)19-17(13-12-15)18(11-8-14-22(3,4)23)20(24-5)26-21(19)25-6/h8-9,11,14,17,19-21,23H,2,7,10,12-13H2,1,3-6H3/b14-8+,15-9+,18-11+/t17-,19+,20+,21+/m1/s1 |
| InChIKey | FQSNNBZYQHKNDZ-AQUXDQNHSA-N |
| Mol Weight | 362.5 g/mol |
| Molecular Formula | C22H34O4 |
| Exact Mass | 362.24571 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BHeaZLx4StK |
|---|---|
| Name | Xenibecin |
| Appearance | Oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H34O4 |
| InChI | InChI=1S/C22H34O4/c1-15-9-7-10-16(2)19-17(13-12-15)18(11-8-14-22(3,4)23)20(24-5)26-21(19)25-6/h8-9,11,14,17,19-21,23H,2,7,10,12-13H2,1,3-6H3/b14-8+,15-9+,18-11+/t17-,19+,20+,21+/m1/s1 |
| InChIKey | FQSNNBZYQHKNDZ-AQUXDQNHSA-N |
| Instrument Name | JEOL JMS-SX/SX 102A |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np020268z |
| Molecular Weight | 362.510 g/mol |
| Optical Rotation | [a]D25 = -18.2 (c = 0.24, CHCl3) |
| Reported Formula | C22H34O4 |
| SMILES | OC(\C=C\C=C\1[C@](O[C@@]([C@@]2([C@@]1(CC\C(=C\CCC2=C)C)[H])[H])(OC)[H])(OC)[H])(C)C |
| SPLASH | splash10-0006-9000000000-cab13a730086673c3271 |
| Source of Spectrum | G4-65-1885-5 |
| Wiley ID | 1883561 |