CID6443170
(11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl)methyl (2Z)-3-methylpenta-2,4-dienoate
Also Known As: Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(3-methyl-2,4-pentadienoate), (4beta,15(Z))-
CAS: 89015-96-3
| Molecular Formula | C21H28O5 |
|---|---|
| Molecular Weight | 360.19366 g/mol |
| LogP | 2.6957 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.19366 |
| Monoisotopic Mass | 360.19366 |
| Heavy Atoms | 26 |
| Complexity | 703.19 |
Chemical Identifiers
| CAS Number | 89015-96-3 |
|---|---|
| SMILES | CC1=CC2C(CC1)(C3(C(CC(C34CO4)O2)O)C)COC(=O)/C=C(/C)\C=C |
Product Overview
CID6443170 (CAS 89015-96-3), with molecular formula C21H28O5 and molecular weight 360.19366 g/mol. IUPAC: (11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl)methyl (2Z)-3-methylpenta-2,4-dienoate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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