2-(Hydroxymethyl)-1,5-dimethyl-4,10-bis(oxan-2-yloxy)spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-ol
Basic information
- CAS
81331-40-0- Standard SMILES
CC1=CC2OC3C(OC4CCCCO4)C(O)C(C)(C2(CO)CC1OC1CCCCO1)C31CO1- InChIKey
FHJAPIVVVJSEDP-UHFFFAOYSA-N- Molecular formula
- C25H38O8
- Average molar mass
- 466.6 g/mol
- Monoisotopic mass
- 466.25666817
Names & identifiers
- Preferred name
- 2-(Hydroxymethyl)-1,5-dimethyl-4,10-bis(oxan-2-yloxy)spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-ol
- IUPAC
- 2-(hydroxymethyl)-1,5-dimethyl-4,10-bis(oxan-2-yloxy)spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-ol
Names & synonyms
NSC32563081331-40-0DTXSID80330877NSC-3256303,8-Bis[(oxan-2-yl)oxy]-12,13-epoxytrichothec-9-ene-4,15-diol
Database identifiers
- CAS
81331-40-0- PubChem CID
- 433226
- DTXSID
DTXSID80330877
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 788
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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