Basic information
- CAS
81331-42-2- Standard SMILES
C=C(C)C(=O)OC1C(O)C2OC3C=C(C)C(O)CC3(COC(C)=O)C1(C)C21CO1- InChIKey
WSHDHEUVOIAJPW-UHFFFAOYSA-N- Molecular formula
- C21H28O8
- Average molar mass
- 408.4 g/mol
- Monoisotopic mass
- 408.17841785
Names & identifiers
- Preferred name
- [2-(Acetyloxymethyl)-4,10-dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] 2-methylprop-2-enoate
- IUPAC
- [2-(acetyloxymethyl)-4,10-dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] 2-methylprop-2-enoate
Names & synonyms
NSC32562781331-42-2DTXSID00330874NSC-32562715-(Acetyloxy)-3,8-dihydroxy-12,13-epoxytrichothec-9-en-4-yl 2-methylprop-2-enoate
Database identifiers
- CAS
81331-42-2- PubChem CID
- 433223
- DTXSID
DTXSID00330874
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 805
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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