| SpectraBase Compound ID | CBvPKlrGMVR |
|---|---|
| InChI | InChI=1S/C18H16O7/c1-22-12-8-11-13(14(20)17(12)23-2)15(21)18(24-3)16(25-11)9-4-6-10(19)7-5-9/h4-8,19-20H,1-3H3 |
| InChIKey | YSXFFLGRZJWNFM-UHFFFAOYSA-N |
| Mol Weight | 344.32 g/mol |
| Molecular Formula | C18H16O7 |
| Exact Mass | 344.089603 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JV7hhdooIkw |
|---|---|
| Name | Penduletin |
| Alternate Name(s) | 5-Hydroxy-2-(4-hydroxyphenyl)-3,6,7-trimethoxy-4H-chromen-4-one 5-Hydroxy-2-(4-hydroxyphenyl)-3,6,7-trimethoxy-chromen-4-one 5,4'-Dihydroxy-3,6,7-trimethoxyflavone 5-Hydroxy-2-(4-hydroxyphenyl)-3,6,7-trimethoxychromen-4-one 4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-3,6,7-trimethoxy- 5-Hydroxy-2-(4-hydroxyphenyl)-3,6,7-trimethoxy-4H-1-benzopyran-4-one |
| CAS Registry Number | 569-80-2 |
| Comments | Structure changed after expert review |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H16O7 |
| InChI | InChI=1S/C18H16O7/c1-22-12-8-11-13(14(20)17(12)23-2)15(21)18(24-3)16(25-11)9-4-6-10(19)7-5-9/h4-8,19-20H,1-3H3 |
| InChIKey | YSXFFLGRZJWNFM-UHFFFAOYSA-N |
| Molecular Weight | 344.319 g/mol |
| SMILES | Oc1ccc(C=2Oc3cc(c(c(c3C(C2OC)=O)O)OC)OC)cc1 |
| SPLASH | splash10-0006-0309000000-d6edb36fe90acbb898f3 |
| Source of Spectrum | F-43-4246-1 |
| Wiley ID | 1337799 |