[1,5-Dimethyl-11-(2-methylprop-2-enoyloxy)-10-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl 2-methylprop-2-enoate
Basic information
- CAS
79320-85-7- Standard SMILES
C=C(C)C(=O)OCC12CCC(C)=CC1OC1C(=O)C(OC(=O)C(=C)C)C2(C)C12CO2- InChIKey
SZEKGWWGLUIOFE-UHFFFAOYSA-N- Molecular formula
- C23H28O7
- Average molar mass
- 416.5 g/mol
- Monoisotopic mass
- 416.18350323
Names & identifiers
- Preferred name
- [1,5-Dimethyl-11-(2-methylprop-2-enoyloxy)-10-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl 2-methylprop-2-enoate
- IUPAC
- [1,5-dimethyl-11-(2-methylprop-2-enoyloxy)-10-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl 2-methylprop-2-enoate
Names & synonyms
NSC32001679320-85-7DTXSID40330833NSC-3200163-Oxo-12,13-epoxytrichothec-9-ene-4,15-diyl bis(2-methylprop-2-enoate)Trichothec-9-en-3-one,13-epoxy-4,15-bis[(2-methyl-1-oxo-2-propenyl)oxy]-, (4.beta.)-
Database identifiers
- CAS
79320-85-7- PubChem CID
- 432964
- DTXSID
DTXSID40330833
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 91.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 901
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…