| SpectraBase Compound ID | CKjdMO6RMVc |
|---|---|
| InChI | InChI=1S/C25H37NO6S/c1-14-7-6-8-19-20(32-19)11-18(10-9-17-13-33-16(3)26-17)31-22(28)12-21(27)25(4,5)24(30)15(2)23(14)29/h9-10,13-15,18-21,23,27,29H,6-8,11-12H2,1-5H3/b10-9+/t14-,15+,18+,19+,20-,21-,23-/m0/s1 |
| InChIKey | HQOMWNCHRWPRQE-PAHOANEJSA-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 | 59wrjJg7RGg |
|---|---|
| Name | Epothylone a-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H37NO6S |
| InChI | InChI=1S/C25H37NO6S/c1-14-7-6-8-19-20(32-19)11-18(10-9-17-13-33-16(3)26-17)31-22(28)12-21(27)25(4,5)24(30)15(2)23(14)29/h9-10,13-15,18-21,23,27,29H,6-8,11-12H2,1-5H3/b10-9+/t14-,15+,18+,19+,20-,21-,23-/m0/s1 |
| InChIKey | HQOMWNCHRWPRQE-PAHOANEJSA-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)[H])=O)(O)[H])(C)C)=O)(C)[H])[H] |
| SPLASH | splash10-0fbc-0921000000-5bde729ea9ebaeafa8ca |
| Source of Spectrum | G4-64-853-7 |
| Synonyms | (1R,5S,6S,7R,10S,14S,16S)-6,10-dihydroxy-5,7,9,9-tetramethyl-14-[(E)-2-(2-methyl-4-thiazolyl)ethenyl]-13,17-dioxabicyclo[14.1.0]heptadecane-8,12-dione (1R,5S,6S,7R,10S,14S,16S)-6,10-dihydroxy-5,7,9,9-tetramethyl-14-[(E)-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-13,17-dioxabicyclo[14.1.0]heptadecane-8,12-dione (1R,5S,6S,7R,10S,14S,16S)-6,10-dihydroxy-5,7,9,9-tetramethyl-14-[(E)-2-(2-methylthiazol-4-yl)vinyl]-13,17-dioxabicyclo[14.1.0]heptadecane-8,12-dione (1R,5S,6S,7R,10S,14S,16S)-5,7,9,9-tetramethyl-14-[(E)-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-6,10-bis(oxidanyl)-13,17-dioxabicyclo[14.1.0]heptadecane-8,12-dione |
| Wiley ID | 1609094 |