| SpectraBase Compound ID | IpzGC8ZD7xl |
|---|---|
| InChI | InChI=1S/C20H26O10/c1-11(26-12(2)21)19(28-14(4)23)20(29-15(5)24)17(27-13(3)22)10-9-16-7-6-8-18(25)30-16/h6,8-11,16-17,19-20H,7H2,1-5H3/b10-9-/t11-,16+,17-,19-,20-/m0/s1 |
| InChIKey | IIGKKKGWVQSBLY-FLOMCYJLSA-N |
| Mol Weight | 426.42 g/mol |
| Molecular Formula | C20H26O10 |
| Exact Mass | 426.152597 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6cy7HJq2dNJ |
|---|---|
| Name | (-)-Spicigerolide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H26O10 |
| InChI | InChI=1S/C20H26O10/c1-11(26-12(2)21)19(28-14(4)23)20(29-15(5)24)17(27-13(3)22)10-9-16-7-6-8-18(25)30-16/h6,8-11,16-17,19-20H,7H2,1-5H3/b10-9-/t11-,16+,17-,19-,20-/m0/s1 |
| InChIKey | IIGKKKGWVQSBLY-FLOMCYJLSA-N |
| Molecular Weight | 426.418 g/mol |
| SMILES | [C@]([C@]([C@@](OC(=O)C)(C)[H])(OC(=O)C)[H])([C@](\C=C/[C@@]1(OC(=O)C=CC1)[H])(OC(=O)C)[H])(OC(=O)C)[H] |
| SPLASH | splash10-002r-0930000000-758cb7327a4a2ed24ec2 |
| Source of Spectrum | Y1-44-541-1 |
| Synonyms | (6R)-6-[(1Z,3S,4S,5S,6S)-(3,4,5,6-tetraacetoxyhept-1-enyl)]-5,6-dihydroptran-2-one (Spicigerolide) Spicigerolide Acetic acid [(Z,2S,3S,4S,5S)-3,4,5-triacetyloxy-7-[(2R)-6-oxo-2,3-dihydropyran-2-yl]hept-6-en-2-yl] ester [(Z,2S,3S,4S,5S)-3,4,5-triacetyloxy-7-[(2R)-6-oxo-2,3-dihydropyran-2-yl]hept-6-en-2-yl] acetate [(Z,1S,2S,3S,4S)-2,3,4-triacetoxy-1-methyl-6-[(2R)-6-oxo-2,3-dihydropyran-2-yl]hex-5-enyl] acetate [(Z,2S,3S,4S,5S)-3,4,5-triacetyloxy-7-[(2R)-6-oxidanylidene-2,3-dihydropyran-2-yl]hept-6-en-2-yl] ethanoate |
| Wiley ID | 1621234 |