Isotrichodermin
[(2R,7R,9R,10R)-1,2,5-trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl] acetate
Also Known As: Isotrichodermin|KST-1A9189|5-Phenyl-3-(2,4-xylyl)-s-triazole|12,13-Epoxytrichothec-9-en-3-yl acetate|12,13-Epoxy-trichothec-9-ene-3-ol acetate|(3|A,12xi)-12,13-epoxytrichothec-9-en-3-yl acetate|5-(2,4-dimethylphenyl)-3-phenyl-1h-1,2,4-triazole|(12xi)-12,13-Epoxytrichothec-9-en-3alpha-yl acetate|Tichothec-9-en-3-ol, 12,13-epoxy-, acetate, (3alpha)-|[(2R,7R,9R,10R)-1,2,5-Trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl] acetate
| Molecular Formula | C17H24O4 |
|---|---|
| Molecular Weight | 292.16745 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 48.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 292.16745 |
| Monoisotopic Mass | 292.16745 |
| Heavy Atoms | 21 |
| Complexity | 541.0 |
Chemical Identifiers
| CAS Number | 97404-08-5 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@](CC1)(C3(C[C@H]([C@H](C34CO4)O2)OC(=O)C)C)C |
| InChIKey | OZXJPPYWZVBMGW-DJXIOKRSSA-N |
Product Overview
Isotrichodermin (CAS 97404-08-5), with molecular formula C17H24O4 and molecular weight 292.16745 g/mol. IUPAC: [(2R,7R,9R,10R)-1,2,5-trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl] acetate.