| SpectraBase Compound ID | 59Gl178GARg |
|---|---|
| InChI | InChI=1S/C29H44O6/c1-20(2)10-8-16-29(7,34)27(35-23(5)30)13-12-21(3)11-9-15-28(6,33)17-14-24-19-25(31)22(4)18-26(24)32/h10-11,14,17-19,27,31-34H,8-9,12-13,15-16H2,1-7H3/b17-14-,21-11+/t27-,28?,29+/m1/s1 |
| InChIKey | IWXGRDWGOJXZGA-JUFHTLJTSA-N |
| Mol Weight | 488.7 g/mol |
| Molecular Formula | C29H44O6 |
| Exact Mass | 488.313789 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9Y0hs2aQrzG |
|---|---|
| Name | Chabrolohydroxybenzoquinone G |
| Appearance | Pale yellow oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H44O6 |
| InChI | InChI=1S/C29H44O6/c1-20(2)10-8-16-29(7,34)27(35-23(5)30)13-12-21(3)11-9-15-28(6,33)17-14-24-19-25(31)22(4)18-26(24)32/h10-11,14,17-19,27,31-34H,8-9,12-13,15-16H2,1-7H3/b17-14-,21-11+/t27-,28?,29+/m1/s1 |
| InChIKey | IWXGRDWGOJXZGA-JUFHTLJTSA-N |
| Instrument Name | VG QUATTRO |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np050278a |
| Molecular Weight | 488.665 g/mol |
| Optical Rotation | [a]D25 = -6.5 (c = 1.08, CHCl3) |
| Reported Formula | C29H44O6 |
| SMILES | O[C@]([C@@](CC\C(=C\CCC(\C=C/c1c(cc(c(c1)O)C)O)(C)O)C)(OC(C)=O)[H])(CCC=C(C)C)C |
| SPLASH | splash10-004i-0900000000-01518ad167ae7fed0f8e |
| Source of Spectrum | G4-68-1655-8 |
| Wiley ID | 1879490 |