| SpectraBase Compound ID | LSgjXzhbK2p |
|---|---|
| InChI | InChI=1S/C26H39NO6S/c1-15-10-8-7-9-11-20(28)24(16(2)12-19-14-34-18(4)27-19)33-22(30)13-21(29)26(5,6)25(32)17(3)23(15)31/h9,11-12,14-15,17,20-21,23-24,28-29,31H,7-8,10,13H2,1-6H3/b11-9-,16-12+/t15-,17+,20-,21-,23-,24+/m0/s1 |
| InChIKey | XHORAZNTIGWOJV-XNHPUFHFSA-N |
| Mol Weight | 493.7 g/mol |
| Molecular Formula | C26H39NO6S |
| Exact Mass | 493.249809 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HwrSBTiSbAe |
|---|---|
| Name | Epothilone c-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H39NO6S |
| InChI | InChI=1S/C26H39NO6S/c1-15-10-8-7-9-11-20(28)24(16(2)12-19-14-34-18(4)27-19)33-22(30)13-21(29)26(5,6)25(32)17(3)23(15)31/h9,11-12,14-15,17,20-21,23-24,28-29,31H,7-8,10,13H2,1-6H3/b11-9-,16-12+/t15-,17+,20-,21-,23-,24+/m0/s1 |
| InChIKey | XHORAZNTIGWOJV-XNHPUFHFSA-N |
| Molecular Weight | 493.659 g/mol |
| SMILES | O[C@]1(\C=C/CCC[C@@]([C@@]([C@](C(C([C@](CC(O[C@@]1(\C(=C\c1nc(C)sc1)C)[H])=O)(O)[H])(C)C)=O)(C)[H])(O)[H])(C)[H])[H] |
| SPLASH | splash10-014i-0900000000-dd92dd0b1ab21ef1392d |
| Source of Spectrum | G4-64-854-25 |
| Synonyms | (4S,7R,8S,9S,13Z,15S,16R)-4,8,15-trihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-4-thiazolyl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione (4S,7R,8S,9S,13Z,15S,16R)-4,8,15-trihydroxy-5,5,7,9-tetramethyl-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,9S,13Z,15S,16R)-4,8,15-trihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-methyl-2-(2-methylthiazol-4-yl)vinyl]-1-oxacyclohexadec-13-ene-2,6-dione (4S,7R,8S,9S,13Z,15S,16R)-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,8,15-tris(oxidanyl)-1-oxacyclohexadec-13-ene-2,6-dione |
| Wiley ID | 1609103 |