3,15-Dihydroxy-12,13-epoxytrichothec-9-en-8-yl 3-methylbutanoate
[(1R,2R,4S,7R,9R,10R)-10-hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate
Also Known As: 3,15-Dihydroxy-12,13-epoxytrichothec-9-en-8-yl 3-methylbutanoate|(12xi)-3alpha,15-Dihydroxy-12,13-epoxytrichothec-9-en-8alpha-yl 3-methylbutanoate
| Molecular Formula | C20H30O6 |
|---|---|
| Molecular Weight | 366.20422 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 88.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 366.20422 |
| Monoisotopic Mass | 366.20422 |
| Heavy Atoms | 26 |
| Complexity | 644.0 |
Chemical Identifiers
| CAS Number | 101401-89-2 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(C)C)([C@]3(C[C@H]([C@H](C34CO4)O2)O)C)CO |
| InChIKey | RCFUVEKOPPKTBN-XHNUPVCRSA-N |
Product Overview
3,15-Dihydroxy-12,13-epoxytrichothec-9-en-8-yl 3-methylbutanoate (CAS 101401-89-2), with molecular formula C20H30O6 and molecular weight 366.20422 g/mol. IUPAC: [(1R,2R,4S,7R,9R,10R)-10-hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate.
3,15-Dihydroxy-12,13-epoxytrichothec-9-en-8-yl 3-methylbutanoate is a custom synthesis product. We offer services from milligram to kilogram scale.
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