| SpectraBase Compound ID | HsSgPZ8i0y6 |
|---|---|
| InChI | InChI=1S/C28H40O5/c1-20(2)10-7-13-23(27(31)33-6)14-8-11-21(3)12-9-16-28(5,32)17-15-24-19-25(29)22(4)18-26(24)30/h10,12,14-15,17-19,29-30,32H,7-9,11,13,16H2,1-6H3/b17-15-,21-12+,23-14- |
| InChIKey | WPIXESJVBMTAJK-GSGJCIHXSA-N |
| Mol Weight | 456.6 g/mol |
| Molecular Formula | C28H40O5 |
| Exact Mass | 456.287574 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | l4ZWcKKkbo |
|---|---|
| Name | Chabrolohydroxybenzoquinone D |
| Appearance | Pale oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H40O5 |
| InChI | InChI=1S/C28H40O5/c1-20(2)10-7-13-23(27(31)33-6)14-8-11-21(3)12-9-16-28(5,32)17-15-24-19-25(29)22(4)18-26(24)30/h10,12,14-15,17-19,29-30,32H,7-9,11,13,16H2,1-6H3/b17-15-,21-12+,23-14- |
| InChIKey | WPIXESJVBMTAJK-GSGJCIHXSA-N |
| Instrument Name | VG Quattro GC/MS |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np0401314 |
| Molecular Weight | 456.623 g/mol |
| Reported Formula | C28H40O5 |
| SMILES | Oc1c(cc(c(\C=C/C(CC\C=C\(CC\C=C\(CCC=C(C)C)C(=O)OC)C)(C)O)c1)O)C |
| SPLASH | splash10-00or-5900000000-dc28d8eff24f06b9106a |
| Source of Spectrum | G4-67-2051-5 |
| Wiley ID | 1881622 |