| SpectraBase Compound ID | IVGsLsFQUkf |
|---|---|
| InChI | InChI=1S/C26H39NO7S/c1-14-7-6-8-19-21(33-19)10-20(17(12-28)9-18-13-35-16(3)27-18)34-23(30)11-22(29)26(4,5)25(32)15(2)24(14)31/h9,13-15,19-22,24,28-29,31H,6-8,10-12H2,1-5H3/b17-9+/t14-,15+,19+,20-,21-,22-,24-/m0/s1 |
| InChIKey | XSZHNNYJIPRFJZ-MSYOXSAWSA-N |
| Mol Weight | 509.7 g/mol |
| Molecular Formula | C26H39NO7S |
| Exact Mass | 509.244724 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1SZP8CG3plE |
|---|---|
| Name | Epothylone a-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H39NO7S |
| InChI | InChI=1S/C26H39NO7S/c1-14-7-6-8-19-21(33-19)10-20(17(12-28)9-18-13-35-16(3)27-18)34-23(30)11-22(29)26(4,5)25(32)15(2)24(14)31/h9,13-15,19-22,24,28-29,31H,6-8,10-12H2,1-5H3/b17-9+/t14-,15+,19+,20-,21-,22-,24-/m0/s1 |
| InChIKey | XSZHNNYJIPRFJZ-MSYOXSAWSA-N |
| Molecular Weight | 509.658 g/mol |
| SMILES | OC\C([C@]1(OC(C[C@@](C(C([C@@]([C@]([C@](CCC[C@]2(O[C@]2(C1)[H])[H])(C)[H])(O)[H])(C)[H])=O)(C)C)(O)[H])=O)[H])=C\c1nc(C)sc1 |
| SPLASH | splash10-014i-0901000000-562b1705baf3aad5230e |
| Source of Spectrum | G4-64-853-8 |
| Synonyms | (1R,5S,6S,7R,10S,14S,16S)-6,10-dihydroxy-14-[(E)-3-hydroxy-1-(2-methyl-4-thiazolyl)prop-1-en-2-yl]-5,7,9,9-tetramethyl-13,17-dioxabicyclo[14.1.0]heptadecane-8,12-dione (1R,5S,6S,7R,10S,14S,16S)-6,10-dihydroxy-14-[(E)-3-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-5,7,9,9-tetramethyl-13,17-dioxabicyclo[14.1.0]heptadecane-8,12-dione (1R,5S,6S,7R,10S,14S,16S)-6,10-dihydroxy-14-[(E)-1-(hydroxymethyl)-2-(2-methylthiazol-4-yl)vinyl]-5,7,9,9-tetramethyl-13,17-dioxabicyclo[14.1.0]heptadecane-8,12-dione (1R,5S,6S,7R,10S,14S,16S)-5,7,9,9-tetramethyl-14-[(E)-1-(2-methyl-1,3-thiazol-4-yl)-3-oxidanyl-prop-1-en-2-yl]-6,10-bis(oxidanyl)-13,17-dioxabicyclo[14.1.0]heptadecane-8,12-dione |
| Wiley ID | 1609093 |