| SpectraBase Compound ID | AOXwjU303gM |
|---|---|
| InChI | InChI=1S/C26H37NO5S/c1-16-11-9-7-8-10-12-21(17(2)13-20-15-33-19(4)27-20)32-23(29)14-22(28)26(5,6)25(31)18(3)24(16)30/h8,10-11,13,15,18,21-22,24,28,30H,7,9,12,14H2,1-6H3/b10-8-,16-11+,17-13+/t18-,21+,22+,24+/m1/s1 |
| InChIKey | MVIPGYRWGVEDHK-DQUVJOKZSA-N |
| Mol Weight | 475.6 g/mol |
| Molecular Formula | C26H37NO5S |
| Exact Mass | 475.239244 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 18bdQgStWv5 |
|---|---|
| Name | Epothilone c-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H37NO5S |
| InChI | InChI=1S/C26H37NO5S/c1-16-11-9-7-8-10-12-21(17(2)13-20-15-33-19(4)27-20)32-23(29)14-22(28)26(5,6)25(31)18(3)24(16)30/h8,10-11,13,15,18,21-22,24,28,30H,7,9,12,14H2,1-6H3/b10-8-,16-11+,17-13+/t18-,21+,22+,24+/m1/s1 |
| InChIKey | MVIPGYRWGVEDHK-DQUVJOKZSA-N |
| Molecular Weight | 475.644 g/mol |
| SMILES | O[C@@]1([C@](C(C([C@](CC(O[C@@](C\C=C/CC\C=C\1C)(\C(=C\c1nc(C)sc1)C)[H])=O)(O)[H])(C)C)=O)(C)[H])[H] |
| SPLASH | splash10-0gb9-0970000000-c708e16842981add1e25 |
| Source of Spectrum | G4-64-854-22 |
| Synonyms | (4S,7R,8R,9E,13Z,16S)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-4-thiazolyl)prop-1-en-2-yl]-1-oxacyclohexadeca-9,13-diene-2,6-dione (4S,7R,8R,9E,13Z,16S)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-9,13-diene-2,6-dione (4S,7R,8R,9E,13Z,16S)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-methyl-2-(2-methylthiazol-4-yl)vinyl]-1-oxacyclohexadeca-9,13-diene-2,6-dione (4S,7R,8R,9E,13Z,16S)-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,8-bis(oxidanyl)-1-oxacyclohexadeca-9,13-diene-2,6-dione |
| Wiley ID | 1609106 |