| SpectraBase Compound ID | 6S1MvMqcZQf |
|---|---|
| InChI | InChI=1S/C18H14O6/c1-18(2)6-5-8-11(24-18)7-12-13(14(8)20)15(21)9-3-4-10(19)16(22)17(9)23-12/h3-7,19-20,22H,1-2H3 |
| InChIKey | UCLUVPCGXYTYEK-UHFFFAOYSA-N |
| Mol Weight | 326.3 g/mol |
| Molecular Formula | C18H14O6 |
| Exact Mass | 326.079038 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EaIedjB3Tcz |
|---|---|
| Name | 2H,6H-Pyrano[3,2-b]xanthen-6-one, 5,9,10-trihydroxy-2,2-dimethyl- |
| Alternate Name(s) | 5,9,10-Trihydroxy-2,2-dimethyl-2H,6H-pyrano[3,2-b]xanthen-6-one Jacareubin 2,2-Dimethyl-5,9,10-tris(oxidanyl)pyrano[3,2-b]xanthen-6-one 5,9,10-trihydroxy-2,2-dimethyl-6-pyrano[3,2-b]xanthenone 5,9,10-trihydroxy-2,2-dimethyl-pyrano[3,2-b]xanthen-6-one 5,9,10-trihydroxy-2,2-dimethylpyrano[3,2-b]xanthen-6(2H)-one 5,9,10-trihydroxy-2,2-dimethylpyrano[3,2-b]xanthen-6-one |
| CAS Registry Number | 3811-29-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H14O6 |
| InChI | InChI=1S/C18H14O6/c1-18(2)6-5-8-11(24-18)7-12-13(14(8)20)15(21)9-3-4-10(19)16(22)17(9)23-12/h3-7,19-20,22H,1-2H3 |
| InChIKey | UCLUVPCGXYTYEK-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1002/cjoc.200990029 |
| Molecular Weight | 326.304 g/mol |
| SMILES | Oc1c2c(cc3Oc4c(c(ccc4C(c13)=O)O)O)OC(C=C2)(C)C |
| SPLASH | splash10-03di-1009000000-cda43ccebfc0c7e9f7df |
| Source of Spectrum | CJC-27-79-2 |
| Wiley ID | 1772226 |