| SpectraBase Compound ID | 6wTJuHfu3Cf |
|---|---|
| InChI | InChI=1S/C19H15ClO8/c1-6-11-17(9(5-21)14(23)12(6)20)27-15-7(2)10(18(24)26-4)13(22)8(3)16(15)28-19(11)25/h5,22-23H,1-4H3 |
| InChIKey | JFEGOSMNEXLZRW-UHFFFAOYSA-N |
| Mol Weight | 406.77 g/mol |
| Molecular Formula | C19H15ClO8 |
| Exact Mass | 406.045545 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | H0FxWFkJ4J0 |
|---|---|
| Name | 11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 2-chloro-4-formyl-3,8-dihydroxy-1,6,9-trimethyl-11-oxo-, methyl ester |
| CAS Registry Number | 64662-25-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H15ClO8 |
| InChI | InChI=1S/C19H15ClO8/c1-6-11-17(9(5-21)14(23)12(6)20)27-15-7(2)10(18(24)26-4)13(22)8(3)16(15)28-19(11)25/h5,22-23H,1-4H3 |
| InChIKey | JFEGOSMNEXLZRW-UHFFFAOYSA-N |
| Molecular Weight | 406.774 g/mol |
| SMILES | Oc1c(c2c(C(Oc3c(c(c(c(c3O2)C)C(=O)OC)O)C)=O)c(c1Cl)C)C=O |
| SPLASH | splash10-0a4l-0049400000-b43e1dfe410cfe755ef5 |
| Source of Spectrum | KC-1979-1657-0 |
| Synonyms | 2-Chloro-4-formyl-3,8-diho-1,6,9-triCH3-11-oxo-11H-dibenzo[b,e][1,4]-dioxepin-7-carboxylic acid methyl ester Chlorogranulatin Methyl 2-chloro-4-formyl-3,8-dihydroxy-1,6,9-trimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylate Methyl 5-chlorovirensate Physciosporin 8-Chloro-10-formyl-3,9-dihydroxy-1,4,7-trimethyl-6-oxo-2-benzo[b][1,4]benzodioxepincarboxylic acid methyl ester Methyl 8-chloro-10-formyl-3,9-dihydroxy-1,4,7-trimethyl-6-oxobenzo[b][1,4]benzodioxepine-2-carboxylate Methyl 8-chloro-10-formyl-3,9-dihydroxy-1,4,7-trimethyl-6-oxo-benzo[b][1,4]benzodioxepine-2-carboxylate Methyl 8-chloranyl-10-methanoyl-1,4,7-trimethyl-3,9-bis(oxidanyl)-6-oxidanylidene-benzo[b][1,4]benzodioxepine-2-carboxylate |
| Wiley ID | 1372003 |