4-Deoxyverrucarol
[(1R,2R,7R,9S)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methanol
Also Known As: 4-Deoxyverrucarol|4-Dove|KST-1A9204|12,13-Epoxytrichothec-9-en-15-ol|Trichothec-9-en-15-ol, 12,13-epoxy-|(2|A,12xi)-12,13-epoxytrichothec-9-en-15-ol|(12xi)-2alpha-12,13-Epoxytrichothec-9-en-15-ol|[(1R,2R,7R,9S)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methanol
CAS: 97807-27-7
| Molecular Formula | C15H22O3 |
|---|---|
| Molecular Weight | 250.15689 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 42.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 250.15689 |
| Monoisotopic Mass | 250.15689 |
| Heavy Atoms | 18 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 97807-27-7 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@](CC1)([C@]3(CC[C@@H](C34CO4)O2)C)CO |
| InChIKey | PIKGDUXACSBRJF-HHKCZIBZSA-N |
Product Overview
4-Deoxyverrucarol (CAS 97807-27-7), with molecular formula C15H22O3 and molecular weight 250.15689 g/mol. IUPAC: [(1R,2R,7R,9S)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methanol.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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