3,7-Dihydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate
[(1S,2R,7R,9R,10R,11S)-11-acetyloxy-3,10-dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate
Also Known As: KST-1A6879|3,7-Dihydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate|(3|A,4|A,12xi)-3,7-dihydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate|(12xi)-3,7-Dihydroxy-3alpha,4beta-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate|Trichothec-9-ene-3,4,7,15-tetrol, 12,13-epoxy-, 4,15-diacetate, (3alpha,4beta)-|Trichothec-9-ene-3,4,7,15-tetrol, 12,13-epoxy-, 4,15-diacetate, (3alpha,4beta,7alpha)-
| Molecular Formula | C19H26O8 |
|---|---|
| Molecular Weight | 382.16278 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 382.16278 |
| Monoisotopic Mass | 382.16278 |
| Heavy Atoms | 27 |
| Complexity | 718.0 |
Chemical Identifiers
| CAS Number | 6333-84-2 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@](C(C1)O)([C@]3([C@@H]([C@H]([C@H](C34CO4)O2)O)OC(=O)C)C)COC(=O)C |
| InChIKey | DXOMWDQITCLYBJ-AEOSVVKMSA-N |
Product Overview
3,7-Dihydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate (CAS 6333-84-2), with molecular formula C19H26O8 and molecular weight 382.16278 g/mol. IUPAC: [(1S,2R,7R,9R,10R,11S)-11-acetyloxy-3,10-dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate.
3,7-Dihydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate is a custom synthesis product. We offer services from milligram to kilogram scale.
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