1.0 2010-04-08 22:15:08 UTC 2025-11-19 02:32:49 UTC FDB020594 Eremopetasidione Constituent of Petasites japonicus (sweet coltsfoot). Eremopetasidione is found in green vegetables. Eremopetasidione C14H20O3 236.3068 236.141244506 3-acetyl-6-hydroxy-4a,5-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-one 3-acetyl-6-hydroxy-4a,5-dimethyl-1,5,6,7,8,8a-hexahydronaphthalen-2-one 163135-94-2 CC1C(O)CCC2CC(=O)C(=CC12C)C(C)=O InChI=1S/C14H20O3/c1-8-12(16)5-4-10-6-13(17)11(9(2)15)7-14(8,10)3/h7-8,10,12,16H,4-6H2,1-3H3 ZKOZDFWTXYIUDZ-UHFFFAOYSA-N belongs to the class of organic compounds known as eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids. These are sesquiterpenoids with a structure based either on the eremophilane skeleton, its 8,9-seco derivative, or the furoeremophilane skeleton. Eremophilanes have been shown to be derived from eudesmanes by migration of the methyl group at C-10 to C-5. Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aliphatic homopolycyclic compounds Cyclic alcohols and derivatives Cyclohexenones Hydrocarbon derivatives Organic oxides Secondary alcohols Alcohol Aliphatic homopolycyclic compound Carbonyl group Cyclic alcohol Cyclic ketone Cyclohexenone Eremophilane sesquiterpenoid Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol logp 1.69 ALOGPS logs -2.68 ALOGPS solubility 4.96e-01 g/l ALOGPS logp 1.68 ChemAxon pka_strongest_acidic 18.42 ChemAxon pka_strongest_basic -0.92 ChemAxon iupac 3-acetyl-6-hydroxy-4a,5-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-one ChemAxon average_mass 236.3068 ChemAxon mono_mass 236.141244506 ChemAxon smiles CC1C(O)CCC2CC(=O)C(=CC12C)C(C)=O ChemAxon formula C14H20O3 ChemAxon inchi InChI=1S/C14H20O3/c1-8-12(16)5-4-10-6-13(17)11(9(2)15)7-14(8,10)3/h7-8,10,12,16H,4-6H2,1-3H3 ChemAxon inchikey ZKOZDFWTXYIUDZ-UHFFFAOYSA-N ChemAxon polar_surface_area 54.37 ChemAxon refractivity 66.08 ChemAxon polarizability 26.01 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18676 Specdb::CMs 46962 Specdb::CMs 158794 Specdb::MsMs 307462 Specdb::MsMs 307463 Specdb::MsMs 307464 Specdb::MsMs 351418 Specdb::MsMs 351419 Specdb::MsMs 351420 Specdb::MsMs 2429002 Specdb::MsMs 2429003 Specdb::MsMs 2429004 Specdb::MsMs 2507185 Specdb::MsMs 2507186 Specdb::MsMs 2507187 HMDB40778 #<Reference:0x000055ce316171c8> Green vegetables Unknown generic