Petasitolone
(4aR,5S,8aR)-3-(2-hydroxypropan-2-yl)-4a,5-dimethyl-1,5,6,7,8,8a-hexahydronaphthalen-2-one
Also Known As: Petasitolone|2(1H)-Naphthalenone, 4a,5,6,7,8,8a-hexahydro-3-(1-hydroxy-1-methylethyl)-4a,5-dimethyl-, (4aR,5S,8aR)-|2(1H)-Naphthalenone, 4a,5,6,7,8,8a-hexahydro-3-(1-hydroxy-1-methylethyl)-4a,5-dimethyl-, (4ar-(4aalpha,5alpha,8aalpha))-|(4aR,5S,8aR)-3-(2-hydroxypropan-2-yl)-4a,5-dimethyl-1,5,6,7,8,8a-hexahydronaphthalen-2-one|(4aR)-4a,5,6,7,8,8abeta-Hexahydro-3-(1-hydroxy-1-methylethyl)-4a,5beta-dimethylnaphthalen-2(1H)-one|(4aR,5S,8aR)-3-(2-hydroxypropan-2-yl)-4a,5-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-one|(4aR,5S,8aR)-3-(2-Hydroxypropan-2-yl)-4a,5-dimethyl-4a,5,6,7,8,8a-hexahydronaphthalen-2(1H)-one|2(1H)-NAPHTHALENONE, 4A,5,6,7,8,8A-HEXAHYDRO-3-(1-HYDROXY-1-METHYLETHYL)-4A,5-DIMETHYL-, (4AR-(4A.ALPHA.,5.ALPHA.,8A.ALPHA.))-|3-(1-Hydroxy-1-methylethyl)-4abeta,5beta-dimethyl-1,2,4a,5,6,7,8,8abeta-octahydronaphthalene-2-one
| Molecular Formula | C15H24O2 |
|---|---|
| Molecular Weight | 236.17763 g/mol |
| LogP | 3.099 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 236.17763 |
| Monoisotopic Mass | 236.17763 |
| Heavy Atoms | 17 |
| Complexity | 361.60834 |
Chemical Identifiers
| CAS Number | 35124-22-2 |
|---|---|
| SMILES | C[C@H]1CCC[C@H]2[C@@]1(C=C(C(=O)C2)C(C)(C)O)C |
Product Overview
Petasitolone (CAS 35124-22-2), with molecular formula C15H24O2 and molecular weight 236.17763 g/mol. IUPAC: (4aR,5S,8aR)-3-(2-hydroxypropan-2-yl)-4a,5-dimethyl-1,5,6,7,8,8a-hexahydronaphthalen-2-one.