[2-(Acetyloxymethyl)-1,5-dimethyl-4,10-dioxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] 2-methylprop-2-enoate
Basic information
- CAS
77620-58-7- Standard SMILES
C=C(C)C(=O)OC1C(=O)C2OC3C=C(C)C(=O)CC3(COC(C)=O)C1(C)C21CO1- InChIKey
BSXMZJFQPNFQQS-UHFFFAOYSA-N- Molecular formula
- C21H24O8
- Average molar mass
- 404.4 g/mol
- Monoisotopic mass
- 404.14711772
Names & identifiers
- Preferred name
- [2-(Acetyloxymethyl)-1,5-dimethyl-4,10-dioxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] 2-methylprop-2-enoate
- IUPAC
- [2-(acetyloxymethyl)-1,5-dimethyl-4,10-dioxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] 2-methylprop-2-enoate
Names & synonyms
NSC32562977620-58-7DTXSID20330876NSC-32562915-(Acetyloxy)-3,8-dioxo-12,13-epoxytrichothec-9-en-4-yl 2-methylprop-2-enoateTrichothec-9-ene-3, 15-(acetyloxy)-12,13-epoxy-4-[(2-methyl-1-oxo-2-propenyl)oxy]-, (4.beta.)-
Database identifiers
- CAS
77620-58-7- PubChem CID
- 433225
- DTXSID
DTXSID20330876
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 887
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…