| SpectraBase Compound ID | 7YkddYO1nxu |
|---|---|
| InChI | InChI=1S/C25H37NO5S/c1-16-10-8-6-7-9-11-21(17(2)12-19-15-32-18(3)26-19)31-24(30)14-23(29)25(4,5)22(28)13-20(16)27/h7,9,12,15-16,20-21,23,27,29H,6,8,10-11,13-14H2,1-5H3/b9-7-,17-12+/t16-,20+,21-,23-/m0/s1 |
| InChIKey | UBEGTFAXEAHJDQ-DZNFWXJJSA-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 | 6O08MIhtXi6 |
|---|---|
| Name | Epothilone c-3 |
| Alternate Name(s) | (4S,8R,9S,13Z,16S)-4,8-dihydroxy-5,5,9-trimethyl-16-[(E)-1-(2-methyl-4-thiazolyl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione (4S,8R,9S,13Z,16S)-4,8-dihydroxy-5,5,9-trimethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione (4S,8R,9S,13Z,16S)-4,8-dihydroxy-5,5,9-trimethyl-16-[(E)-1-methyl-2-(2-methylthiazol-4-yl)vinyl]-1-oxacyclohexadec-13-ene-2,6-dione (4S,8R,9S,13Z,16S)-5,5,9-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 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H37NO5S |
| InChI | InChI=1S/C25H37NO5S/c1-16-10-8-6-7-9-11-21(17(2)12-19-15-32-18(3)26-19)31-24(30)14-23(29)25(4,5)22(28)13-20(16)27/h7,9,12,15-16,20-21,23,27,29H,6,8,10-11,13-14H2,1-5H3/b9-7-,17-12+/t16-,20+,21-,23-/m0/s1 |
| InChIKey | UBEGTFAXEAHJDQ-DZNFWXJJSA-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])=O)(C)C)[H] |
| SPLASH | splash10-02t9-0900100000-6e1b3b7aa0c34963d495 |
| Source of Spectrum | G4-64-854-20 |
| Wiley ID | 1609108 |