7-Hydroxy-8-oxo-12,13-epoxytrichothec-9-ene-3,15-diyl diacetate
[(2R,3S,7R,9R,10R)-10-acetyloxy-3-hydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate
Also Known As: 3,15-Diacetyldeoxynivalenol|KST-1A6226|(3|A,7|A,12xi)-7-hydroxy-8-oxo-12,13-epoxytrichothec-9-ene-3,15-diyl diacetate|7-Hydroxy-8-oxo-12,13-epoxytrichothec-9-ene-3,15-diyl diacetate|3alpha,15-Bis(acetyloxy)-12,13-epoxy-7alpha-hydroxytrichothec-9-en-8-one|(12xi)-7-Hydroxy-8-oxo-3alpha,7alpha-12,13-epoxytrichothec-9-ene-3,15-diyl diacetate|Trichothec-9-en-8-one, 3,15-bis(acetyloxy)-12,13-epoxy-7-hydroxy-, (3alpha,7alpha)-
| Molecular Formula | C19H24O8 |
|---|---|
| Molecular Weight | 380.14713 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 111.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 380.14713 |
| Heavy Atoms | 27 |
| Complexity | 752.8 |
Chemical Identifiers
| CAS Number | 56676-60-9 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@]([C@@H](C1=O)O)(C3(C[C@H]([C@H](C34CO4)O2)OC(=O)C)C)COC(=O)C |
Product Overview
7-Hydroxy-8-oxo-12,13-epoxytrichothec-9-ene-3,15-diyl diacetate (CAS 56676-60-9), with molecular formula C19H24O8 and molecular weight 380.14713 g/mol. IUPAC: [(2R,3S,7R,9R,10R)-10-acetyloxy-3-hydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate.
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