| SpectraBase Compound ID | Cnoe07QiIyt |
|---|---|
| InChI | InChI=1S/C27H32O4/c1-18(7-6-8-19(2)13-26-14-21(4)17-31-26)11-24(28)12-20(3)9-10-23-16-25(29)15-22(5)27(23)30/h8-9,11,14-17H,6-7,10,12-13H2,1-5H3/b18-11+,19-8+,20-9+ |
| InChIKey | GWMQARFDFFCDBM-PYGWAEJBSA-N |
| Mol Weight | 420.5 g/mol |
| Molecular Formula | C27H32O4 |
| Exact Mass | 420.23006 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2pkqb0u5gY9 |
|---|---|
| Name | 5-Oxo-cystofuranoquinone |
| Appearance | Brown oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H32O4 |
| InChI | InChI=1S/C27H32O4/c1-18(7-6-8-19(2)13-26-14-21(4)17-31-26)11-24(28)12-20(3)9-10-23-16-25(29)15-22(5)27(23)30/h8-9,11,14-17H,6-7,10,12-13H2,1-5H3/b18-11+,19-8+,20-9+ |
| InChIKey | GWMQARFDFFCDBM-PYGWAEJBSA-N |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np030082f |
| Molecular Weight | 420.549 g/mol |
| Reported Formula | C27H32O4 |
| SMILES | C=1(C(C(=CC(C1)=O)C\C=C/(C)CC(\C=C\(CC\C=C\(Cc1cc(co1)C)C)C)=O)=O)C |
| SPLASH | splash10-000t-1920000000-30f7b7ccc6d48bb92519 |
| Source of Spectrum | G4-66-974-9 |
| Wiley ID | 1881465 |