| SpectraBase Compound ID | C29VAOi9b8A |
|---|---|
| InChI | InChI=1S/C27H39NO5S/c1-16-9-8-10-17(2)25(31)19(4)26(32)27(6,7)23(29)14-24(30)33-22(12-11-16)18(3)13-21-15-34-20(5)28-21/h10-11,13,15,19,22-23,25,29,31H,8-9,12,14H2,1-7H3/b16-11-,17-10+,18-13+/t19-,22+,23+,25+/m1/s1 |
| InChIKey | OQUHUZWYEYDRMH-JGMJILQLSA-N |
| Mol Weight | 489.7 g/mol |
| Molecular Formula | C27H39NO5S |
| Exact Mass | 489.254895 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 | 1HPl1aCBuoA |
|---|---|
| Name | Epothilone D-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H39NO5S |
| InChI | InChI=1S/C27H39NO5S/c1-16-9-8-10-17(2)25(31)19(4)26(32)27(6,7)23(29)14-24(30)33-22(12-11-16)18(3)13-21-15-34-20(5)28-21/h10-11,13,15,19,22-23,25,29,31H,8-9,12,14H2,1-7H3/b16-11-,17-10+,18-13+/t19-,22+,23+,25+/m1/s1 |
| InChIKey | OQUHUZWYEYDRMH-JGMJILQLSA-N |
| Molecular Weight | 489.671 g/mol |
| SMILES | O[C@@]1([C@](C(C([C@](CC(O[C@@](C\C=C/(CC\C=C\1C)C)(\C(=C\c1nc(C)sc1)C)[H])=O)(O)[H])(C)C)=O)(C)[H])[H] |
| SPLASH | splash10-014i-0921000000-fb96253dc8cb5fbff12c |
| Source of Spectrum | G4-64-854-23 |
| Synonyms | (4S,7R,8R,9E,13Z,16S)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-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-5,5,7,9,13-pentamethyl-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-5,5,7,9,13-pentamethyl-16-[(E)-1-methyl-2-(2-methylthiazol-4-yl)vinyl]-1-oxacyclohexadeca-9,13-diene-2,6-dione (4S,7R,8R,9E,13Z,16S)-5,5,7,9,13-pentamethyl-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 | 1609105 |