[4,10-Dihydroxy-1,5-dimethyl-11-(2-methylprop-2-enoyloxy)spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl 2-methylprop-2-enoate
Basic information
- CAS
81331-43-3- Standard SMILES
C=C(C)C(=O)OCC12CC(O)C(C)=CC1OC1C(O)C(OC(=O)C(=C)C)C2(C)C12CO2- InChIKey
UKRVCXMOZOIVPA-UHFFFAOYSA-N- Molecular formula
- C23H30O8
- Average molar mass
- 434.5 g/mol
- Monoisotopic mass
- 434.19406791
Names & identifiers
- Preferred name
- [4,10-Dihydroxy-1,5-dimethyl-11-(2-methylprop-2-enoyloxy)spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl 2-methylprop-2-enoate
- IUPAC
- [4,10-dihydroxy-1,5-dimethyl-11-(2-methylprop-2-enoyloxy)spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl 2-methylprop-2-enoate
Names & synonyms
NSC32562881331-43-3DTXSID60330875NSC-3256283,8-Dihydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl bis(2-methylprop-2-enoate)
Database identifiers
- CAS
81331-43-3- PubChem CID
- 433224
- DTXSID
DTXSID60330875
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 892
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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