| SpectraBase Compound ID | Hy5bt6d49TB |
|---|---|
| InChI | InChI=1S/C16H21NO5S/c1-10(14(21-4)8-15(19)22-5)13(20-3)7-6-12-9-23-16(17-12)11(2)18/h6-10,13H,1-5H3/b7-6+,14-8+/t10-,13+/m1/s1 |
| InChIKey | LTTPICLGJAXUOJ-NSTYSWHMSA-N |
| Mol Weight | 339.41 g/mol |
| Molecular Formula | C16H21NO5S |
| Exact Mass | 339.114044 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4dPGXC1tib5 |
|---|---|
| Name | (2E,4R,5S,6E)-7-(2-acetyl-4-thiazolyl)-3,5-dimethoxy-4-methylhepta-2,6-dienoic acid methyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H21NO5S |
| InChI | InChI=1S/C16H21NO5S/c1-10(14(21-4)8-15(19)22-5)13(20-3)7-6-12-9-23-16(17-12)11(2)18/h6-10,13H,1-5H3/b7-6+,14-8+/t10-,13+/m1/s1 |
| InChIKey | LTTPICLGJAXUOJ-NSTYSWHMSA-N |
| Literature Reference DOI | 10.1021/ol701459j |
| Molecular Weight | 339.406 g/mol |
| SMILES | c1(nc(sc1)C(=O)C)\C=C\[C@@]([C@](\C(=C/C(OC)=O)OC)(C)[H])(OC)[H] |
| SPLASH | splash10-0002-0900000000-2a198e3faeb7a56d364c |
| Source of Spectrum | A1-9-3425/SMS5-1 |
| Synonyms | (2E,4R,5S,6E)-7-(2-acetylthiazol-4-yl)-3,5-dimethoxy-4-methyl-hepta-2,6-dienoic acid methyl ester Melithiazole C Methyl (2E,4R,5S,6E)-7-(2-acetyl-1,3-thiazol-4-yl)-3,5-dimethoxy-4-methylhepta-2,6-dienoate Methyl (2E,4R,5S,6E)-7-(2-acetylthiazol-4-yl)-3,5-dimethoxy-4-methyl-hepta-2,6-dienoate Methyl (2E,4R,5S,6E)-7-(2-ethanoyl-1,3-thiazol-4-yl)-3,5-dimethoxy-4-methyl-hepta-2,6-dienoate (2E,4R,5S,6E)-methyl 7-(2-acetylthiazol-4-yl)-3,5-dimethoxy-4-methylhepta-2,6-dienoate |
| Wiley ID | 1758541 |