1.0 2010-04-08 22:12:36 UTC 2025-11-19 01:49:18 UTC FDB016717 10beta-12,13-Dinor-8-oxo-6-eremophilen-11-al Constituent of Petasites japonicus sspecies giganteus (Japanese butterbur). 10beta-12,13-Dinor-8-oxo-6-eremophilen-11-al is found in green vegetables. C13H18O2 206.2808 206.13067982 8,8a-dimethyl-3-oxo-3,4,4a,5,6,7,8,8a-octahydronaphthalene-2-carbaldehyde 8,8a-dimethyl-3-oxo-4,4a,5,6,7,8-hexahydronaphthalene-2-carbaldehyde 348119-86-8 CC1CCCC2CC(=O)C(C=O)=CC12C InChI=1S/C13H18O2/c1-9-4-3-5-11-6-12(15)10(8-14)7-13(9,11)2/h7-9,11H,3-6H2,1-2H3 QJHOMNLQPDCBJF-UHFFFAOYSA-N belongs to the class of organic compounds known as cyclohexenones. Cyclohexenones are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond. Cyclohexenones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aliphatic homopolycyclic compounds Aldehydes Hydrocarbon derivatives Organic oxides Aldehyde Aliphatic homopolycyclic compound Cyclohexenone Hydrocarbon derivative Organic oxide logp 2.60 ALOGPS logs -3.13 ALOGPS solubility 1.54e-01 g/l ALOGPS logp 2.5 ChemAxon pka_strongest_acidic 19.33 ChemAxon pka_strongest_basic -6.7 ChemAxon iupac 8,8a-dimethyl-3-oxo-3,4,4a,5,6,7,8,8a-octahydronaphthalene-2-carbaldehyde ChemAxon average_mass 206.2808 ChemAxon mono_mass 206.13067982 ChemAxon smiles CC1CCCC2CC(=O)C(C=O)=CC12C ChemAxon formula C13H18O2 ChemAxon inchi InChI=1S/C13H18O2/c1-9-4-3-5-11-6-12(15)10(8-14)7-13(9,11)2/h7-9,11H,3-6H2,1-2H3 ChemAxon inchikey QJHOMNLQPDCBJF-UHFFFAOYSA-N ChemAxon polar_surface_area 34.14 ChemAxon refractivity 60.01 ChemAxon polarizability 23.05 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22959 Specdb::CMs 131990 Specdb::CMs 139724 Specdb::MsMs 75126 Specdb::MsMs 75127 Specdb::MsMs 75128 Specdb::MsMs 134697 Specdb::MsMs 134698 Specdb::MsMs 134699 Specdb::MsMs 2296919 Specdb::MsMs 2296920 Specdb::MsMs 2296921 Specdb::MsMs 2642190 Specdb::MsMs 2642191 Specdb::MsMs 2642192 HMDB37604 #<Reference:0x000055ce32598ea8> Green vegetables Unknown generic