| SpectraBase Compound ID | D0ILlVOUeI2 |
|---|---|
| InChI | InChI=1S/C14H12O6/c1-5-2-7-11(14(19)20-5)13(18)10-8(12(7)17)3-6(15)4-9(10)16/h3-5,14-16,19H,2H2,1H3/t5-,14+/m0/s1 |
| InChIKey | NNXPHSFVRRTOJM-OVZGEXIGSA-N |
| Mol Weight | 276.24 g/mol |
| Molecular Formula | C14H12O6 |
| Exact Mass | 276.063388 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DglL1yaH2 |
|---|---|
| Name | (1R,3S)-(-)-Thysanone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C14H12O6 |
| InChI | InChI=1S/C14H12O6/c1-5-2-7-11(14(19)20-5)13(18)10-8(12(7)17)3-6(15)4-9(10)16/h3-5,14-16,19H,2H2,1H3/t5-,14+/m0/s1 |
| InChIKey | NNXPHSFVRRTOJM-OVZGEXIGSA-N |
| Molecular Weight | 276.244 g/mol |
| SMILES | Oc1cc2C(C3=C(C(c2c(c1)O)=O)[C@@](O[C@](C3)(C)[H])(O)[H])=O |
| SPLASH | splash10-0a4i-9150000000-def8a07e251e46fa0ddd |
| Source of Spectrum | K-2002-947-1 |
| Synonyms | (1R,3S)-1,7,9-trihydroxy-3-methyl-3,4-dihydro-1H-benzo[g][2]benzopyran-5,10-dione (1R,3S)-1,7,9-trihydroxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione (1R,3S)-3-methyl-1,7,9-tris(oxidanyl)-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione |
| Wiley ID | 1581138 |