| SpectraBase Compound ID | Eo9eVNNotjk |
|---|---|
| InChI | InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-12-15-18(21)19-16-13-10-11-14-17-20(22)23-19/h6-10,12-13,15,18-19,21H,2-5,11,14,16-17H2,1H3/b7-6+,9-8+,13-10-,15-12-/t18-,19+/m1/s1 |
| InChIKey | TUGHNHCROFLFMP-WKDYWPMCSA-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 | 1ZgL58qf3SC |
|---|---|
| Name | (8S,9R)-Neodidemnilactone isomer |
| Alternate Name(s) | (2S,3R,5Z)-3-hydroxy-2-[(1Z,3E,5E)-undeca-1,3,5-trienyl]-2,3,4,7,8,9-hexahydrooxecin-10-one (2S,3R,5Z)-3-oxidanyl-2-[(1Z,3E,5E)-undeca-1,3,5-trienyl]-2,3,4,7,8,9-hexahydrooxecin-10-one (9R,10S)-9-hydroxy-10-[(1Z,3E,5E)-1,3,5-undecatrienyl]-3,4,5,8,9,10-hexahydro-2H-oxecin-2-one (Z)-(S)-9-((2Z,4E,6E)-(R)-1-Hydroxy-dodeca-2,4,6-trienyl)-4,5,8,9-tetrahydro-3H-oxonin-2-one Neodidemnilactone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H30O3 |
| InChI | InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-12-15-18(21)19-16-13-10-11-14-17-20(22)23-19/h6-10,12-13,15,18-19,21H,2-5,11,14,16-17H2,1H3/b7-6+,9-8+,13-10-,15-12-/t18-,19+/m1/s1 |
| InChIKey | TUGHNHCROFLFMP-WKDYWPMCSA-N |
| Molecular Weight | 318.457 g/mol |
| SMILES | O[C@](\C=C/C=C/C=C/CCCCC)([C@]1(OC(=O)CCC\C=C/C1)[H])[H] |
| SPLASH | splash10-0gbc-0419000000-d03fcdd62173c1387397 |
| Source of Spectrum | F-50-7396-17 |
| Wiley ID | 1318859 |