| SpectraBase Compound ID | K0wVh83Li5B |
|---|---|
| InChI | InChI=1S/C14H14O5/c1-14(2)13(17)11(16)10-8(19-14)5-3-7-4-6-9(15)18-12(7)10/h3-6,11,13,16-17H,1-2H3/t11-,13+/m0/s1 |
| InChIKey | HKXQUNNSKMWIKJ-WCQYABFASA-N |
| Mol Weight | 262.26 g/mol |
| Molecular Formula | C14H14O5 |
| Exact Mass | 262.084124 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Jw2yUVsUP0p |
|---|---|
| Name | (-)-trans-Khellactone |
| Alternate Name(s) | (9R,10S)-8,8-dimethyl-9,10-bis(oxidanyl)-9,10-dihydropyrano[2,3-f]chromen-2-one (9R,10S)-9,10-dihydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-2-one (9R,10S)-9,10-dihydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f][1]benzopyran-2-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C14H14O5 |
| InChI | InChI=1S/C14H14O5/c1-14(2)13(17)11(16)10-8(19-14)5-3-7-4-6-9(15)18-12(7)10/h3-6,11,13,16-17H,1-2H3/t11-,13+/m0/s1 |
| InChIKey | HKXQUNNSKMWIKJ-WCQYABFASA-N |
| Molecular Weight | 262.261 g/mol |
| SMILES | O[C@@]1([C@](C(Oc2ccc3C=CC(Oc3c12)=O)(C)C)(O)[H])[H] |
| SPLASH | splash10-0006-1910000000-3c2e0248710ab131fb2f |
| Source of Spectrum | O1-60-605-5 |
| Wiley ID | 1591935 |