1.0 2010-04-08 22:07:30 UTC 2025-11-18 23:04:20 UTC FDB007221 Palustrol Palustrol is a member of the class of compounds known as 5,10-cycloaromadendrane sesquiterpenoids. 5,10-cycloaromadendrane sesquiterpenoids are aromadendrane sesquiterpenoids that arise from the C5-C10 cyclization of the aromadendrane skeleton. Palustrol is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Palustrol can be found in cloves, which makes palustrol a potential biomarker for the consumption of this food product. 1,1,4,7-Tetramethyldecahydro-4ah-cyclopropa[e]azulen-4a-ol Diepi-palustrol Palustrol Palustrol (ledum) C15H26O 222.3663 222.198365454 1,1,2,5-tetramethyl-decahydro-1H-cyclopropa[e]azulen-4a-ol 1,1,2,5-tetramethyl-octahydro-1aH-cyclopropa[e]azulen-4a-ol CC1CCC2(O)C1C1C(CCC2C)C1(C)C InChI=1S/C15H26O/c1-9-7-8-15(16)10(2)5-6-11-13(12(9)15)14(11,3)4/h9-13,16H,5-8H2,1-4H3 QWRTXOOFEHOROQ-UHFFFAOYSA-N belongs to the class of organic compounds known as 5,10-cycloaromadendrane sesquiterpenoids. These are aromadendrane sesquiterpenoids that arise from the C5-C10 cyclization of the aromadendrane skeleton. 5,10-cycloaromadendrane sesquiterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aliphatic homopolycyclic compounds Cyclic alcohols and derivatives Guaianes Hydrocarbon derivatives Tertiary alcohols 5,10-cycloaromadendrane sesquiterpenoid Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Guaiane sesquiterpenoid Hydrocarbon derivative Organic oxygen compound Organooxygen compound Tertiary alcohol logp 3.25 ALOGPS logs -4.52 ALOGPS solubility 6.74e-03 g/l ALOGPS logp 3.33 ChemAxon pka_strongest_basic -0.07 ChemAxon iupac 1,1,2,5-tetramethyl-decahydro-1H-cyclopropa[e]azulen-4a-ol ChemAxon average_mass 222.3663 ChemAxon mono_mass 222.198365454 ChemAxon smiles CC1CCC2(O)C1C1C(CCC2C)C1(C)C ChemAxon formula C15H26O ChemAxon inchi InChI=1S/C15H26O/c1-9-7-8-15(16)10(2)5-6-11-13(12(9)15)14(11,3)4/h9-13,16H,5-8H2,1-4H3 ChemAxon inchikey QWRTXOOFEHOROQ-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 66.45 ChemAxon polarizability 27.51 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 51987 Specdb::MsMs 51988 Specdb::MsMs 51989 Specdb::MsMs 139866 Specdb::MsMs 139867 Specdb::MsMs 139868 Specdb::MsMs 3603803 Specdb::MsMs 3603804 Specdb::MsMs 3603805 Specdb::MsMs 3603806 Specdb::MsMs 3603807 Specdb::MsMs 3603808 Cloves Type 1 specific Syzygium aromaticum 219868