![(2E,4E)-hexa-2,4-dienoic acid [(3S,6E,8S,9S,10R)-8,9-dihydroxy-2-keto-10-propyl-3,4,5,8,9,10-hexahydrooxecin-3-yl] ester](/api/spectrum/LexQEOJbRyw/structure.png?h=300&w=458 "(2E,4E)-hexa-2,4-dienoic acid [(3S,6E,8S,9S,10R)-8,9-dihydroxy-2-keto-10-propyl-3,4,5,8,9,10-hexahydrooxecin-3-yl] ester")
| SpectraBase Compound ID | L26Ju9XhoV3 |
|---|---|
| InChI | InChI=1S/C18H26O6/c1-3-5-6-12-16(20)23-15-11-8-7-10-13(19)17(21)14(9-4-2)24-18(15)22/h3,5-7,10,12-15,17,19,21H,4,8-9,11H2,1-2H3/b5-3+,10-7+,12-6+/t13-,14+,15-,17-/m0/s1 |
| InChIKey | TXPRZPDVUZCNLB-PREDPWABSA-N |
| Mol Weight | 338.4 g/mol |
| Molecular Formula | C18H26O6 |
| Exact Mass | 338.172939 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LexQEOJbRyw |
|---|---|
| Name | Lethaloxin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H26O6 |
| InChI | InChI=1S/C18H26O6/c1-3-5-6-12-16(20)23-15-11-8-7-10-13(19)17(21)14(9-4-2)24-18(15)22/h3,5-7,10,12-15,17,19,21H,4,8-9,11H2,1-2H3/b5-3+,10-7+,12-6+/t13-,14+,15-,17-/m0/s1 |
| InChIKey | TXPRZPDVUZCNLB-PREDPWABSA-N |
| Molecular Weight | 338.400 g/mol |
| SMILES | O[C@]1([C@](\C=C\CC[C@@](C(O[C@@]1(CCC)[H])=O)(OC(\C=C\C=C\C)=O)[H])(O)[H])[H] |
| SPLASH | splash10-0002-9000000000-b95e47c585206d7927d3 |
| Source of Spectrum | F-70-9827-2 |
| Synonyms | (2E,4E)-hexa-2,4-dienoic acid [(2R,3S,4S,5E,9S)-3,4-dihydroxy-10-oxo-2-propyl-2,3,4,7,8,9-hexahydrooxecin-9-yl] ester [(2R,3S,4S,5E,9S)-3,4-dihydroxy-10-oxo-2-propyl-2,3,4,7,8,9-hexahydrooxecin-9-yl] (2E,4E)-hexa-2,4-dienoate [(2R,3S,4S,5E,9S)-3,4-bis(oxidanyl)-10-oxidanylidene-2-propyl-2,3,4,7,8,9-hexahydrooxecin-9-yl] (2E,4E)-hexa-2,4-dienoate |
| Wiley ID | 1597935 |