| SpectraBase Compound ID | CfGMFz5YBjG |
|---|---|
| InChI | InChI=1S/C25H37NO6S/c1-13-7-6-8-20-22(31-20)11-21(14(2)9-18-12-33-17(5)26-18)32-23(28)10-19(27)15(3)25(30)16(4)24(13)29/h9,12-13,15-16,19-22,24,27,29H,6-8,10-11H2,1-5H3/b14-9+/t13-,15?,16+,19-,20+,21-,22-,24-/m0/s1 |
| InChIKey | XBRMHTMQENGRNB-JDFPFZRWSA-N |
| Mol Weight | 479.6 g/mol |
| Molecular Formula | C25H37NO6S |
| Exact Mass | 479.234159 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 26OzTIEQO7p |
|---|---|
| Name | Epothylone a-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H37NO6S |
| InChI | InChI=1S/C25H37NO6S/c1-13-7-6-8-20-22(31-20)11-21(14(2)9-18-12-33-17(5)26-18)32-23(28)10-19(27)15(3)25(30)16(4)24(13)29/h9,12-13,15-16,19-22,24,27,29H,6-8,10-11H2,1-5H3/b14-9+/t13-,15?,16+,19-,20+,21-,22-,24-/m0/s1 |
| InChIKey | XBRMHTMQENGRNB-JDFPFZRWSA-N |
| Molecular Weight | 479.632 g/mol |
| SMILES | O[C@@]1([C@](C(C([C@](CC(O[C@@](C[C@@]2(O[C@@]2(CCC[C@@]1(C)[H])[H])[H])(\C(=C\c1nc(C)sc1)C)[H])=O)(O)[H])C)=O)(C)[H])[H] |
| SPLASH | splash10-0n29-0904000000-6628a9e14749ebe69ff6 |
| Source of Spectrum | G4-64-853-5 |
| Synonyms | (1R,5S,6S,7R,10S,14S,16S)-6,10-dihydroxy-5,7,9-trimethyl-14-[(E)-1-(2-methyl-4-thiazolyl)prop-1-en-2-yl]-13,17-dioxabicyclo[14.1.0]heptadecane-8,12-dione (1R,5S,6S,7R,10S,14S,16S)-6,10-dihydroxy-5,7,9-trimethyl-14-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-13,17-dioxabicyclo[14.1.0]heptadecane-8,12-dione (1R,5S,6S,7R,10S,14S,16S)-6,10-dihydroxy-5,7,9-trimethyl-14-[(E)-1-methyl-2-(2-methylthiazol-4-yl)vinyl]-13,17-dioxabicyclo[14.1.0]heptadecane-8,12-dione (1R,5S,6S,7R,10S,14S,16S)-5,7,9-trimethyl-14-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-6,10-bis(oxidanyl)-13,17-dioxabicyclo[14.1.0]heptadecane-8,12-dione |
| Wiley ID | 1609096 |