[1,5-Dimethyl-11-(2-methylprop-2-enoyloxy)-4,10-dioxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl 2-methylprop-2-enoate
Basic information
- CAS
77620-59-8- Standard SMILES
C=C(C)C(=O)OCC12CC(=O)C(C)=CC1OC1C(=O)C(OC(=O)C(=C)C)C2(C)C12CO2- InChIKey
QUNBFIXEWKNFLB-UHFFFAOYSA-N- Molecular formula
- C23H26O8
- Average molar mass
- 430.4 g/mol
- Monoisotopic mass
- 430.16276778
Names & identifiers
- Preferred name
- [1,5-Dimethyl-11-(2-methylprop-2-enoyloxy)-4,10-dioxospiro[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)-4,10-dioxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl 2-methylprop-2-enoate
Names & synonyms
NSC32563277620-59-8DTXSID40330878NSC-3256323,8-Dioxo-12,13-epoxytrichothec-9-ene-4,15-diyl bis(2-methylprop-2-enoate)Trichothec-9-ene-3, 12,13-epoxy-4,15-bis[(2-methyl-1-oxo-2-propenyl)oxy]-, (4.beta.)-
Database identifiers
- CAS
77620-59-8- PubChem CID
- 433228
- DTXSID
DTXSID40330878
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 976
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Compound notes
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