| SpectraBase Compound ID | FBVuv7LkXGg |
|---|---|
| InChI | InChI=1S/C21H20O9/c1-8-9(2)19(11(4)16(24)14(8)20(27)29-5)30-21(28)15-10(3)12(6-22)17(25)13(7-23)18(15)26/h6-7,24-26H,1-5H3 |
| InChIKey | TZUKIKOHNDDFPS-UHFFFAOYSA-N |
| Mol Weight | 416.38 g/mol |
| Molecular Formula | C21H20O9 |
| Exact Mass | 416.110732 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IOtkqIs4MaW |
|---|---|
| Name | Benzoic acid, 3,5-diformyl-2,4-dihydroxy-6-methyl-, 3-hydroxy-4-(methoxycarbonyl)-2,5,6-trimethylphenyl ester |
| CAS Registry Number | 27839-39-0 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H20O9 |
| InChI | InChI=1S/C21H20O9/c1-8-9(2)19(11(4)16(24)14(8)20(27)29-5)30-21(28)15-10(3)12(6-22)17(25)13(7-23)18(15)26/h6-7,24-26H,1-5H3 |
| InChIKey | TZUKIKOHNDDFPS-UHFFFAOYSA-N |
| Molecular Weight | 416.382 g/mol |
| SMILES | Oc1c(c(c(c(OC(c2c(c(c(c(c2O)C=O)O)C=O)C)=O)c1C)C)C)C(=O)OC |
| SPLASH | splash10-004i-4950000000-eef6b00816c98881e2e9 |
| Source of Spectrum | EP-6941-0-0 |
| Synonyms | 3-Hydroxy-4-(methoxycarbonyl)-2,5,6-trimethylphenyl 3,5-diformyl-2,4-dihydroxy-6-methylbenzoate .beta.-Resorcylic acid, 3,5-diformyl-6-methyl-, 4-ester with methyl 3,5,6-trimethyl-.beta.-resorcylate 4-(3,5-diformyl-2,4-dihydroxy-6-methyl-benzoyl)oxy-2-hydroxy-3,5,6-trimethyl-benzoic acid methyl ester 4-[(3,5-diformyl-2,4-dihydroxy-6-methylphenyl)-oxomethoxy]-2-hydroxy-3,5,6-trimethylbenzoic acid methyl ester Methyl 4-[3,5-dimethanoyl-2-methyl-4,6-bis(oxidanyl)phenyl]carbonyloxy-2,3,5-trimethyl-6-oxidanyl-benzoate Phenarctin Methyl 4-(3,5-diformyl-2,4-dihydroxy-6-methylbenzoyl)oxy-2-hydroxy-3,5,6-trimethylbenzoate |
| Wiley ID | 1376265 |