Pachylactone
(2S,4S,5R,8S)-5-methyl-8-[(2S)-6-methylhept-5-en-2-yl]-11-oxatricyclo[7.3.0.02,4]dodec-1(9)-en-10-one
Also Known As: Pachylactone|3H-Cyclopropa(3,4)cycloocta(1,2-c)furan-3-one, 4-((1R)-1,5-dimethyl-4-hexen-1-yl)-1,4,5,6,7,7a,8,8a-octahydro-7-methyl-, (4S,7R,7aS,8aS)-|(2R,4R,5S,8R)-5-methyl-8-((2S)-6-methylhept-5-en-2-yl)-11-oxatricyclo(7.3.0.02,4)dodec-1(9)-en-10-one|(2R,4R,5S,8R)-5-methyl-8-[(2S)-6-methylhept-5-en-2-yl]-11-oxatricyclo[7.3.0.02,4]dodec-1(9)-en-10-one|(2S,4S,5R,8S)-5-methyl-8-((2S)-6-methylhept-5-en-2-yl)-11-oxatricyclo(7.3.0.02,4)dodec-1(9)-en-10-one|(2S,4S,5R,8S)-5-methyl-8-[(2S)-6-methylhept-5-en-2-yl]-11-oxatricyclo[7.3.0.02,4]dodec-1(9)-en-10-one|(4S,7R,7aS,8aS)-7-Methyl-4-[(2S)-6-methylhept-5-en-2-yl]-1,4,5,6,7,7a,8,8a-octahydro-3H-cyclopropa[3,4]cycloocta[1,2-c]furan-3-one|7-Methyl-4-(6-methylhept-5-en-2-yl)-1,4,5,6,7,7a,8,8a-octahydro-3H-cyclopropa[3,4]cycloocta[1,2-c]furan-3-one
| Molecular Formula | C20H30O2 |
|---|---|
| Molecular Weight | 302.22458 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 302.22458 |
| Monoisotopic Mass | 302.22458 |
| Heavy Atoms | 22 |
| Complexity | 510.0 |
Chemical Identifiers
| CAS Number | 89199-96-2 |
|---|---|
| SMILES | C[C@@H]1CC[C@H](C2=C(COC2=O)[C@@H]3[C@H]1C3)[C@@H](C)CCC=C(C)C |
| InChIKey | GWENPRUHSSRYLN-QEOTZNIISA-N |
Product Overview
Pachylactone (CAS 89199-96-2), with molecular formula C20H30O2 and molecular weight 302.22458 g/mol. IUPAC: (2S,4S,5R,8S)-5-methyl-8-[(2S)-6-methylhept-5-en-2-yl]-11-oxatricyclo[7.3.0.02,4]dodec-1(9)-en-10-one.