| SpectraBase Compound ID | ItmP67p9Tev |
|---|---|
| InChI | InChI=1S/C27H38O5/c1-19(2)9-6-12-22(26(30)31)13-7-10-20(3)11-8-15-27(5,32)16-14-23-18-24(28)21(4)17-25(23)29/h9,11,13-14,16-18,28-29,32H,6-8,10,12,15H2,1-5H3,(H,30,31)/b16-14-,20-11+,22-13+ |
| InChIKey | CSICLPIRUBSEIB-ZLAGLDBCSA-N |
| Mol Weight | 442.6 g/mol |
| Molecular Formula | C27H38O5 |
| Exact Mass | 442.271924 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Bq3rXPfphF5 |
|---|---|
| Name | Chabrolohydroxybenzoquinone A |
| Appearance | Pale oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H38O5 |
| InChI | InChI=1S/C27H38O5/c1-19(2)9-6-12-22(26(30)31)13-7-10-20(3)11-8-15-27(5,32)16-14-23-18-24(28)21(4)17-25(23)29/h9,11,13-14,16-18,28-29,32H,6-8,10,12,15H2,1-5H3,(H,30,31)/b16-14-,20-11+,22-13+ |
| InChIKey | CSICLPIRUBSEIB-ZLAGLDBCSA-N |
| Instrument Name | VG Quattro GC/MS |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np0401314 |
| Molecular Weight | 442.596 g/mol |
| Reported Formula | C27H38O5 |
| SMILES | Oc1c(cc(c(\C=C/C(CC\C=C\(CC\C=C\(C(O)=O)CCC=C(C)C)C)(C)O)c1)O)C |
| SPLASH | splash10-004i-1900000000-6a59117df9a8be9daa16 |
| Source of Spectrum | G4-67-2051-2 |
| Wiley ID | 1881619 |