![2-[a-(2-hydroxy-4,4-dimethyl-5-oxo-1-cyclohexen-1-yl)veratryl]-5,5-](/api/spectrum/BzbsVAYOTQz/structure.png?h=300&w=458 "2-[a-(2-hydroxy-4,4-dimethyl-5-oxo-1-cyclohexen-1-yl)veratryl]-5,5-")
| SpectraBase Compound ID | 1llodJFRtBy |
|---|---|
| InChI | InChI=1S/C25H32O6/c1-24(2)10-15(26)22(16(27)11-24)21(14-7-8-19(30-5)20(9-14)31-6)23-17(28)12-25(3,4)13-18(23)29/h7-9,21-22,28H,10-13H2,1-6H3 |
| InChIKey | LSKIWUDUESUEPQ-UHFFFAOYSA-N |
| Mol Weight | 428.5 g/mol |
| Molecular Formula | C25H32O6 |
| Exact Mass | 428.219889 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BzbsVAYOTQz |
|---|---|
| Name | 2-[a-(2-hydroxy-4,4-dimethyl-5-oxo-1-cyclohexen-1-yl)veratryl]-5,5- |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H32O6 |
| InChI | InChI=1S/C25H32O6/c1-24(2)10-15(26)22(16(27)11-24)21(14-7-8-19(30-5)20(9-14)31-6)23-17(28)12-25(3,4)13-18(23)29/h7-9,21-22,28H,10-13H2,1-6H3 |
| InChIKey | LSKIWUDUESUEPQ-UHFFFAOYSA-N |
| Molecular Weight | 428.525 g/mol |
| SMILES | OC1=C(C(C2C(CC(CC2=O)(C)C)=O)c2cc(OC)c(cc2)OC)C(CC(C)(C)C1)=O |
| SPLASH | splash10-0a5i-9330000000-1a53ea5c86c9fc7a5070 |
| Source of Spectrum | CM-1999-1936-0 |
| Synonyms | 2-[(3,4-dimethoxyphenyl)-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione 2-[(3,4-dimethoxyphenyl)-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione 2-[(3,4-dimethoxyphenyl)-(2-hydroxy-6-keto-4,4-dimethyl-cyclohexen-1-yl)methyl]-5,5-dimethyl-cyclohexane-1,3-quinone 2-[(3,4-dimethoxyphenyl)-(2-hydroxy-4,4-dimethyl-6-oxo-cyclohexen-1-yl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione 2-[(3,4-dimethoxyphenyl)-(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione |
| Wiley ID | 464290 |