| SpectraBase Compound ID | 8ss45P36SLT |
|---|---|
| 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/h7-10,13,15-16,18,21-22,24,28,30H,11-12,14H2,1-6H3/b9-7+,10-8-,17-13+/t16-,18+,21-,22-,24-/m0/s1 |
| InChIKey | ROFAAPRTXVOLLR-DFIDMPDGSA-N |
| Mol Weight | 475.6 g/mol |
| Molecular Formula | C26H37NO5S |
| Exact Mass | 475.239244 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | FBufldmUkkf |
|---|---|
| Name | Epothilone c-6 |
| 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/h7-10,13,15-16,18,21-22,24,28,30H,11-12,14H2,1-6H3/b9-7+,10-8-,17-13+/t16-,18+,21-,22-,24-/m0/s1 |
| InChIKey | ROFAAPRTXVOLLR-DFIDMPDGSA-N |
| Molecular Weight | 475.644 g/mol |
| SMILES | O[C@@]1([C@](C(C([C@](CC(O[C@@](C\C=C/C=C/C[C@@]1(C)[H])(\C(=C\c1nc(C)sc1)C)[H])=O)(O)[H])(C)C)=O)(C)[H])[H] |
| SPLASH | splash10-014i-0920100000-7d33294c6877935488a1 |
| Source of Spectrum | G4-64-854-24 |
| Synonyms | (4S,7R,8S,9S,11E,13Z,16S)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-4-thiazolyl)prop-1-en-2-yl]-1-oxacyclohexadeca-11,13-diene-2,6-dione (4S,7R,8S,9S,11E,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-11,13-diene-2,6-dione (4S,7R,8S,9S,11E,13Z,16S)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-methyl-2-(2-methylthiazol-4-yl)vinyl]-1-oxacyclohexadeca-11,13-diene-2,6-dione (4S,7R,8S,9S,11E,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-11,13-diene-2,6-dione |
| Wiley ID | 1609104 |