12,13-Epoxytrichothec-9-en-3-ol
Basic information
- CAS
104155-10-4- Standard SMILES
CC1=C[C@H]2O[C@@H]3[C@H](O)C[C@@](C)(C34CO4)[C@@]2(C)CC1- InChIKey
ICJDGHMOMSQSLB-PYMBJFBLSA-N- Molecular formula
- C15H22O3
- Average molar mass
- 250.33 g/mol
- Monoisotopic mass
- 250.15689456
Names & identifiers
- Preferred name
- 12,13-Epoxytrichothec-9-en-3-ol
- IUPAC
- (1R,2R,7R,9R,10R)-1,2,5-trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-ol
Names & synonyms
DTXSID3090882812,13-Epoxytrichothec-9-en-3-ol(12xi)-12,13-Epoxytrichothec-9-en-3alpha-olQ42403298
Database identifiers
- CAS
104155-10-4- PubChem CID
- 190754
- DTXSID
DTXSID30908828
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 445
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Compound notes
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