| SpectraBase Compound ID | 1F26YwCx6Sn |
|---|---|
| InChI | InChI=1S/C23H29ClO5/c1-13(7-6-8-14(2)18-11-19(26)23(4,5)29-18)9-10-16-21(27)17(12-25)15(3)20(24)22(16)28/h8-9,12,18,27-28H,6-7,10-11H2,1-5H3/b13-9+,14-8+ |
| InChIKey | VGYPZLGWVQQOST-UAUIHIKDSA-N |
| Mol Weight | 420.93 g/mol |
| Molecular Formula | C23H29ClO5 |
| Exact Mass | 420.170352 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IS0udbNqQkm |
|---|---|
| Name | Ascofuranone |
| Alternate Name(s) | 3-Chloranyl-5-[(2E,6E)-7-(5,5-dimethyl-4-oxidanylidene-oxolan-2-yl)-3-methyl-octa-2,6-dienyl]-2-methyl-4,6-bis(oxidanyl)benzaldehyde 5-Chloro-2,4-dihydroxy-3-[(2E,6E)-7-(4-keto-5,5-dimethyl-tetrahydrofuran-2-yl)-3-methyl-octa-2,6-dienyl]-6-methyl-benzaldehyde 5-Chloro-3-[(2E,6E)-7-(5,5-dimethyl-4-oxo-2-oxolanyl)-3-methylocta-2,6-dienyl]-2,4-dihydroxy-6-methylbenzaldehyde 5-Chloro-3-[(2E,6E)-7-(5,5-dimethyl-4-oxo-tetrahydrofuran-2-yl)-3-methyl-octa-2,6-dienyl]-2,4-dihydroxy-6-methyl-benzaldehyde 5-Chloro-3-[(2E,6E)-7-(5,5-dimethyl-4-oxooxolan-2-yl)-3-methylocta-2,6-dienyl]-2,4-dihydroxy-6-methylbenzaldehyde |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H29ClO5 |
| InChI | InChI=1S/C23H29ClO5/c1-13(7-6-8-14(2)18-11-19(26)23(4,5)29-18)9-10-16-21(27)17(12-25)15(3)20(24)22(16)28/h8-9,12,18,27-28H,6-7,10-11H2,1-5H3/b13-9+,14-8+ |
| InChIKey | VGYPZLGWVQQOST-UAUIHIKDSA-N |
| Molecular Weight | 420.933 g/mol |
| SMILES | Oc1c(c(c(c(c1C\C=C\(CC\C=C\(C1OC(C)(C)C(C1)=O)C)C)O)C=O)C)Cl |
| SPLASH | splash10-0fdk-7950100000-12a85371a7895c1c8356 |
| Source of Spectrum | AJ-68-2732-4 |
| Wiley ID | 773352 |