| SpectraBase Compound ID | 1VDOVZmeqXe |
|---|---|
| InChI | InChI=1S/C20H32O2/c1-17(11-21)5-4-6-18(2)14(17)8-16(22)20-9-13-12(7-15(18)20)19(13,3)10-20/h12-16,21-22H,4-11H2,1-3H3/t12-,13?,14-,15+,16+,17-,18-,19+,20-/m1/s1 |
| InChIKey | AYJDZPIYFBFTNU-USCGNFFASA-N |
| Mol Weight | 304.5 g/mol |
| Molecular Formula | C20H32O2 |
| Exact Mass | 304.24023 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 45CdqKVXaox |
|---|---|
| Name | Trachinodiol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H32O2 |
| InChI | InChI=1S/C20H32O2/c1-17(11-21)5-4-6-18(2)14(17)8-16(22)20-9-13-12(7-15(18)20)19(13,3)10-20/h12-16,21-22H,4-11H2,1-3H3/t12-,13?,14-,15+,16+,17-,18-,19+,20-/m1/s1 |
| InChIKey | AYJDZPIYFBFTNU-USCGNFFASA-N |
| Instrument Name | Micromass Autospec |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np200560s |
| Molecular Weight | 304.474 g/mol |
| Reported Formula | C20H32O2 |
| SMILES | OC[C@]1(CCC[C@]2([C@]3([C@]4([C@](C[C@]12[H])(O)[H])C[C@]1([C@](C3)(C1C4)[H])C)[H])C)C |
| SPLASH | splash10-0a4r-0490000000-f809d0eca5df44ff5d99 |
| Source of Spectrum | G4-74-1987-1 |
| Wiley ID | 1849209 |