| SpectraBase Compound ID | 8K1V9NIcmWx |
|---|---|
| InChI | InChI=1S/C25H37NO5S/c1-15-10-8-6-7-9-11-22(16(2)12-20-14-32-19(5)26-20)31-23(28)13-21(27)17(3)25(30)18(4)24(15)29/h7,9,12,14-15,17-18,21-22,24,27,29H,6,8,10-11,13H2,1-5H3/b9-7+,16-12+/t15-,17+,18+,21-,22-,24-/m0/s1 |
| InChIKey | GGEZPMGQYPDHAV-MXWPJGIKSA-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 | Icpnu6sVzpr |
|---|---|
| Name | (trans)-epothilone c-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H37NO5S |
| InChI | InChI=1S/C25H37NO5S/c1-15-10-8-6-7-9-11-22(16(2)12-20-14-32-19(5)26-20)31-23(28)13-21(27)17(3)25(30)18(4)24(15)29/h7,9,12,14-15,17-18,21-22,24,27,29H,6,8,10-11,13H2,1-5H3/b9-7+,16-12+/t15-,17+,18+,21-,22-,24-/m0/s1 |
| InChIKey | GGEZPMGQYPDHAV-MXWPJGIKSA-N |
| Molecular Weight | 463.633 g/mol |
| SMILES | O[C@@]1([C@](C([C@@]([C@]([C@](CCC\C=C\C[C@](OC(C1)=O)(\C(=C\c1nc(C)sc1)C)[H])(C)[H])(O)[H])(C)[H])=O)(C)[H])[H] |
| SPLASH | splash10-0i03-0920000000-c6eb32b4f10cf7c60aca |
| Source of Spectrum | G4-64-854-28 |
| Synonyms | (4S,5R,7R,8S,9S,13E,16S)-4,8-dihydroxy-5,7,9-trimethyl-16-[(E)-1-(2-methyl-4-thiazolyl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione (4S,5R,7R,8S,9S,13E,16S)-4,8-dihydroxy-5,7,9-trimethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione (4S,5R,7R,8S,9S,13E,16S)-4,8-dihydroxy-5,7,9-trimethyl-16-[(E)-1-methyl-2-(2-methylthiazol-4-yl)vinyl]-1-oxacyclohexadec-13-ene-2,6-dione (4S,5R,7R,8S,9S,13E,16S)-5,7,9-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 |
| Wiley ID | 1609160 |