| SpectraBase Compound ID | 6ezLFNuspun |
|---|---|
| InChI | InChI=1S/C25H37NO5S/c1-16-10-8-6-7-9-11-20(13-12-19-15-32-18(3)26-19)31-22(28)14-21(27)25(4,5)24(30)17(2)23(16)29/h7,9,12-13,15-17,20-21,23,27,29H,6,8,10-11,14H2,1-5H3/b9-7-,13-12+/t16-,17+,20-,21-,23-/m0/s1 |
| InChIKey | SZLNOQJINZWMEH-RZFZXLGKSA-N |
| Mol Weight | 463.6 g/mol |
| Molecular Formula | C25H37NO5S |
| Exact Mass | 463.239244 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2sIhfPRvma |
|---|---|
| Name | Epothilone c-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H37NO5S |
| InChI | InChI=1S/C25H37NO5S/c1-16-10-8-6-7-9-11-20(13-12-19-15-32-18(3)26-19)31-22(28)14-21(27)25(4,5)24(30)17(2)23(16)29/h7,9,12-13,15-17,20-21,23,27,29H,6,8,10-11,14H2,1-5H3/b9-7-,13-12+/t16-,17+,20-,21-,23-/m0/s1 |
| InChIKey | SZLNOQJINZWMEH-RZFZXLGKSA-N |
| Molecular Weight | 463.633 g/mol |
| SMILES | O[C@@]1([C@](C(C([C@](CC(O[C@@](C\C=C/CCC[C@@]1(C)[H])(\C=C\c1nc(C)sc1)[H])=O)(O)[H])(C)C)=O)(C)[H])[H] |
| SPLASH | splash10-0uk9-0900100000-c1bf25014425c615b77e |
| Source of Spectrum | G4-64-854-26 |
| Synonyms | (4S,7R,8S,9S,13Z,16S)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-2-(2-methyl-4-thiazolyl)ethenyl]-1-oxacyclohexadec-13-ene-2,6-dione (4S,7R,8S,9S,13Z,16S)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-1-oxacyclohexadec-13-ene-2,6-dione (4S,7R,8S,9S,13Z,16S)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-2-(2-methylthiazol-4-yl)vinyl]-1-oxacyclohexadec-13-ene-2,6-dione (4S,7R,8S,9S,13Z,16S)-5,5,7,9-tetramethyl-16-[(E)-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-4,8-bis(oxidanyl)-1-oxacyclohexadec-13-ene-2,6-dione |
| Wiley ID | 1609102 |