| SpectraBase Compound ID | 31VyOkZoq23 |
|---|---|
| InChI | InChI=1S/C20H26N2O4S2/c1-12(2)19-22-15(11-28-19)20-21-14(10-27-20)7-8-16(24-4)13(3)17(25-5)9-18(23)26-6/h7-10,13,15-16H,1,11H2,2-6H3/b8-7+,17-9+/t13-,15?,16+/m1/s1 |
| InChIKey | ANGKCYLBHBLXFP-AXVMNCJNSA-N |
| Mol Weight | 422.56 g/mol |
| Molecular Formula | C20H26N2O4S2 |
| Exact Mass | 422.1334 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6rBw3Rw6EpN |
|---|---|
| Name | Melithiazol A |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H26N2O4S2 |
| InChI | InChI=1S/C20H26N2O4S2/c1-12(2)19-22-15(11-28-19)20-21-14(10-27-20)7-8-16(24-4)13(3)17(25-5)9-18(23)26-6/h7-10,13,15-16H,1,11H2,2-6H3/b8-7+,17-9+/t13-,15?,16+/m1/s1 |
| InChIKey | ANGKCYLBHBLXFP-AXVMNCJNSA-N |
| Molecular Weight | 422.558 g/mol |
| SMILES | C1(=NC(CS1)c1nc(\C=C\[C@@]([C@](\C(=C/C(=O)OC)OC)(C)[H])(OC)[H])cs1)C(=C)C |
| SPLASH | splash10-004i-0090000000-e25bbd58904de13ad1d3 |
| Source of Spectrum | U1-1999-2606-2 |
| Synonyms | (2E,4R,5S,6E)-3,5-dimethoxy-4-methyl-7-[2-[2-(1-methylethenyl)-4,5-dihydrothiazol-4-yl]-4-thiazolyl]hepta-2,6-dienoic acid methyl ester Methyl (2E,4R,5S,6E)-7-[2-(2-isopropenyl-4,5-dihydrothiazol-4-yl)thiazol-4-yl]-3,5-dimethoxy-4-methyl-hepta-2,6-dienoate Methyl (2E,4R,5S,6E)-3,5-dimethoxy-4-methyl-7-[2-(2-prop-1-en-2-yl-4,5-dihydro-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]hepta-2,6-dienoate |
| Wiley ID | 752138 |