| SpectraBase Compound ID | JIke2O0SgjI |
|---|---|
| InChI | InChI=1S/C26H39NO7S/c1-14-7-6-8-18-20(33-18)10-19(15(2)9-17-13-35-22(12-28)27-17)34-23(30)11-21(29)26(4,5)25(32)16(3)24(14)31/h9,13-14,16,18-21,24,28-29,31H,6-8,10-12H2,1-5H3/b15-9+/t14-,16+,18+,19-,20-,21-,24-/m0/s1 |
| InChIKey | FCCNKYGSMOSYPV-OKOHHBBGSA-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 | AipRc8qeuov |
|---|---|
| Name | Epothylone E |
| Alternate Name(s) | (1R,5S,6S,7R,10S,14S,16S)-6,10-dihydroxy-14-[(E)-1-[2-(hydroxymethyl)-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)-1-[2-(hydroxymethyl)-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)-2-[2-(hydroxymethyl)thiazol-4-yl]-1-methyl-vinyl]-5,7,9,9-tetramethyl-13,17-dioxabicyclo[14.1.0]heptadecane-8,12-dione (1R,5S,6S,7R,10S,14S,16S)-14-[(E)-1-[2-(hydroxymethyl)-1,3-thiazol-4-yl]prop-1-en-2-yl]-5,7,9,9-tetramethyl-6,10-bis(oxidanyl)-13,17-dioxabicyclo[14.1.0]heptadecane-8,12-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H39NO7S |
| InChI | InChI=1S/C26H39NO7S/c1-14-7-6-8-18-20(33-18)10-19(15(2)9-17-13-35-22(12-28)27-17)34-23(30)11-21(29)26(4,5)25(32)16(3)24(14)31/h9,13-14,16,18-21,24,28-29,31H,6-8,10-12H2,1-5H3/b15-9+/t14-,16+,18+,19-,20-,21-,24-/m0/s1 |
| InChIKey | FCCNKYGSMOSYPV-OKOHHBBGSA-N |
| Molecular Weight | 509.658 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(CO)sc1)C)[H])=O)(O)[H])(C)C)=O)(C)[H])[H] |
| SPLASH | splash10-0zn9-2901000000-ca5a7f7f6e052e789dc3 |
| Source of Spectrum | G4-64-852-3 |
| Wiley ID | 1609098 |