4,15-Bis(acetyloxy)-3-hydroxy-12,13-epoxytrichothec-9-en-8-yl 2-methylpropanoate
[(1S,2R,4S,7R,9R,10R,11S)-11-acetyloxy-2-(acetyloxymethyl)-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 2-methylpropanoate
Also Known As: 4,15-Bis(acetyloxy)-3-hydroxy-12,13-epoxytrichothec-9-en-8-yl 2-methylpropanoate|(12xi)-4beta,15-Bis(acetyloxy)-3alpha-hydroxy-12,13-epoxytrichothec-9-en-8alpha-yl 2-methylpropanoate
| Molecular Formula | C23H32O9 |
|---|---|
| Molecular Weight | 452.20462 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 452.20462 |
| Monoisotopic Mass | 452.20462 |
| Heavy Atoms | 32 |
| Complexity | 866.0 |
Chemical Identifiers
| CAS Number | 111112-48-2 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)C(C)C)([C@]3([C@@H]([C@H]([C@H](C34CO4)O2)O)OC(=O)C)C)COC(=O)C |
| InChIKey | CZZOBJORBLRBLT-DZDJJHPHSA-N |
Product Overview
4,15-Bis(acetyloxy)-3-hydroxy-12,13-epoxytrichothec-9-en-8-yl 2-methylpropanoate (CAS 111112-48-2), with molecular formula C23H32O9 and molecular weight 452.20462 g/mol. IUPAC: [(1S,2R,4S,7R,9R,10R,11S)-11-acetyloxy-2-(acetyloxymethyl)-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 2-methylpropanoate.
4,15-Bis(acetyloxy)-3-hydroxy-12,13-epoxytrichothec-9-en-8-yl 2-methylpropanoate is a custom synthesis product. We offer services from milligram to kilogram scale.
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