7,8-Dihydroxydiacetoxyscirpenol
[(1S,2R,7R,9R,10R,11S)-11-acetyloxy-3,4,10-trihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate
Also Known As: 7,8-Dihydroxydiacetoxyscirpenol|Trichothec-9-ene-3,4,7,8,15-pentol, 12,13-epoxy-, 4,15-diacetate, (3-alpha,4-beta)-|3,7,8-Trihydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate|(12xi)-3,7,8-Trihydroxy-3alpha,4beta-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate|Trichothec-9-ene-3,4,7,8,15-pentol, 12,13-epoxy-, 4,15-diacetate, (3.alpha.,4.beta.)-
| Molecular Formula | C19H26O9 |
|---|---|
| Molecular Weight | 398.15768 g/mol |
| LogP | -1.9 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.15768 |
| Monoisotopic Mass | 398.15768 |
| Heavy Atoms | 28 |
| Complexity | 750.0 |
Chemical Identifiers
| CAS Number | 54831-24-2 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@](C(C1O)O)([C@]3([C@@H]([C@H]([C@H](C34CO4)O2)O)OC(=O)C)C)COC(=O)C |
| InChIKey | ARKWUSFUCGIADI-GVDPSCCPSA-N |
Product Overview
7,8-Dihydroxydiacetoxyscirpenol (CAS 54831-24-2), with molecular formula C19H26O9 and molecular weight 398.15768 g/mol. IUPAC: [(1S,2R,7R,9R,10R,11S)-11-acetyloxy-3,4,10-trihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate.