| SpectraBase Compound ID | 7zR7g8bLcq2 |
|---|---|
| InChI | InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-13-16-19-18(21)15-12-10-11-14-17-20(22)23-19/h6-10,12-13,16,18-19,21H,2-5,11,14-15,17H2,1H3/b7-6+,9-8+,12-10-,16-13-/t18-,19+/m1/s1 |
| InChIKey | RZTWPOHZVRQFRZ-WPIGOCRBSA-N |
| Mol Weight | 318.46 g/mol |
| Molecular Formula | C20H30O3 |
| Exact Mass | 318.219495 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IQzdP6k33i8 |
|---|---|
| Name | Neodidemnilactone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H30O3 |
| InChI | InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-13-16-19-18(21)15-12-10-11-14-17-20(22)23-19/h6-10,12-13,16,18-19,21H,2-5,11,14-15,17H2,1H3/b7-6+,9-8+,12-10-,16-13-/t18-,19+/m1/s1 |
| InChIKey | RZTWPOHZVRQFRZ-WPIGOCRBSA-N |
| Molecular Weight | 318.457 g/mol |
| SMILES | O[C@]1([C@@](OC(=O)CCC\C=C/C1)(\C=C/C=C/C=C/CCCCC)[H])[H] |
| SPLASH | splash10-03xr-0905000000-67959b807c441456f1b6 |
| Source of Spectrum | F-50-7394-3 |
| Synonyms | (Z)-(9R,10S)-9-Hydroxy-10-((1Z,3E,5E)-undeca-1,3,5-trienyl)-3,4,5,8,9,10-hexahydro-oxecin-2-one 9-Hydroxy-10-[(1Z,3E,5E)-1,3,5-undecatrienyl]-3,4,5,8,9,10-hexahydro-2H-oxecin-2-one Neodidemniacetone (2S,3R,5Z)-3-oxidanyl-2-[(1Z,3E,5E)-undeca-1,3,5-trienyl]-2,3,4,7,8,9-hexahydrooxecin-10-one |
| Wiley ID | 1318860 |