| SpectraBase Compound ID | ECoMqhEl8I6 |
|---|---|
| InChI | InChI=1S/C25H28O8/c1-13(2)7-9-16-17(10-8-14(3)4)22(29)24(23(31-5)21(16)28)33-19-12-15(26)11-18(27)20(19)25(30)32-6/h7-8,11-12,26-27H,9-10H2,1-6H3 |
| InChIKey | AATISISCRVORPT-UHFFFAOYSA-N |
| Mol Weight | 456.49 g/mol |
| Molecular Formula | C25H28O8 |
| Exact Mass | 456.178418 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9elGFLowphX |
|---|---|
| Name | Atrovirinone |
| Alternate Name(s) | 2,4-Dihydroxy-6-[[2-methoxy-4,5-bis(3-methylbut-2-enyl)-3,6-dioxo-1-cyclohexa-1,4-dienyl]oxy]benzoic acid methyl ester 2-[3,6-diketo-2-methoxy-4,5-bis(3-methylbut-2-enyl)cyclohexa-1,4-dien-1-yl]oxy-4,6-dihydroxy-benzoic acid methyl ester Methyl 2,4-dihydroxy-6-[2-methoxy-4,5-bis(3-methylbut-2-enyl)-3,6-dioxo-cyclohexa-1,4-dien-1-yl]oxy-benzoate Methyl 2-[2-methoxy-4,5-bis(3-methylbut-2-enyl)-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]oxy-4,6-bis(oxidanyl)benzoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H28O8 |
| InChI | InChI=1S/C25H28O8/c1-13(2)7-9-16-17(10-8-14(3)4)22(29)24(23(31-5)21(16)28)33-19-12-15(26)11-18(27)20(19)25(30)32-6/h7-8,11-12,26-27H,9-10H2,1-6H3 |
| InChIKey | AATISISCRVORPT-UHFFFAOYSA-N |
| Molecular Weight | 456.491 g/mol |
| SMILES | Oc1cc(cc(c1C(=O)OC)OC1=C(C(=O)C(=C(C1=O)CC=C(C)C)CC=C(C)C)OC)O |
| SPLASH | splash10-052f-6100900000-aa4bb68900c38ed62cd2 |
| Source of Spectrum | G4-64-978-1 |
| Wiley ID | 1609145 |