| SpectraBase Compound ID | 9ZK81VTJJtG |
|---|---|
| InChI | InChI=1S/C25H37NO5S/c1-16(13-19-15-32-18(3)26-19)21-12-10-8-6-7-9-11-20(27)17(2)24(30)25(4,5)22(28)14-23(29)31-21/h8,10,13,15,17,20-22,27-28H,6-7,9,11-12,14H2,1-5H3/b10-8-,16-13+/t17-,20+,21+,22+/m1/s1 |
| InChIKey | BQWMEQIBCWMVHJ-KBOCJPGHSA-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 | 6Bqr3l4M0IO |
|---|---|
| Name | Epothilone c-4 |
| Alternate Name(s) | (4S,7R,8S,13Z,16S)-4,8-dihydroxy-5,5,7-trimethyl-16-[(E)-1-(2-methyl-4-thiazolyl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione (4S,7R,8S,13Z,16S)-4,8-dihydroxy-5,5,7-trimethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione (4S,7R,8S,13Z,16S)-4,8-dihydroxy-5,5,7-trimethyl-16-[(E)-1-methyl-2-(2-methylthiazol-4-yl)vinyl]-1-oxacyclohexadec-13-ene-2,6-dione (4S,7R,8S,13Z,16S)-5,5,7-trimethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,8-bis(oxidanyl)-1-oxacyclohexadec-13-ene-2,6-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H37NO5S |
| InChI | InChI=1S/C25H37NO5S/c1-16(13-19-15-32-18(3)26-19)21-12-10-8-6-7-9-11-20(27)17(2)24(30)25(4,5)22(28)14-23(29)31-21/h8,10,13,15,17,20-22,27-28H,6-7,9,11-12,14H2,1-5H3/b10-8-,16-13+/t17-,20+,21+,22+/m1/s1 |
| InChIKey | BQWMEQIBCWMVHJ-KBOCJPGHSA-N |
| Molecular Weight | 463.633 g/mol |
| SMILES | O[C@@]1([C@](C(C([C@](CC(O[C@@](C\C=C/CCCC1)(\C(=C\c1nc(C)sc1)C)[H])=O)(O)[H])(C)C)=O)(C)[H])[H] |
| SPLASH | splash10-014i-0900000000-c1deabafd12b57916ac7 |
| Source of Spectrum | G4-64-854-21 |
| Wiley ID | 1609107 |