Cannabicoumaronone
4-(6,6-dimethyl-10-pentyl-2,7-dioxatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraen-5-yl)butan-2-one
Also Known As: Cannabicoumaronone|4- -2-butanone|4-(3,4-Dihydro-4,4-dimethyl-7-pentylfuro[4,3,2-de][1]benzopyran-3-yl)-2-butanone|4-(4,4-Dimethyl-7-pentyl-3,4-dihydrofuro[4,3,2-de]chromen-3-yl)-2-butanone #|4-(6,6-dimethyl-10-pentyl-2,7-dioxatricyclo(6.3.1.04,12)dodeca-1(12),3,8,10-tetraen-5-yl)butan-2-one|4-(6,6-dimethyl-10-pentyl-2,7-dioxatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraen-5-yl)butan-2-one|4-{6,6-dimethyl-10-pentyl-2,7-dioxatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-5-yl}butan-2-one
| Molecular Formula | C21H28O3 |
|---|---|
| Molecular Weight | 328.20386 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 39.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 328.20386 |
| Monoisotopic Mass | 328.20386 |
| Heavy Atoms | 24 |
| Complexity | 444.0 |
Chemical Identifiers
| CAS Number | 70474-97-4 |
|---|---|
| SMILES | CCCCCC1=CC2=C3C(=C1)OC(C(C3=CO2)CCC(=O)C)(C)C |
| InChIKey | CSSYBWPIBDITMG-UHFFFAOYSA-N |
Product Overview
Cannabicoumaronone (CAS 70474-97-4), with molecular formula C21H28O3 and molecular weight 328.20386 g/mol. IUPAC: 4-(6,6-dimethyl-10-pentyl-2,7-dioxatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraen-5-yl)butan-2-one.
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