1.0 2010-04-08 22:13:16 UTC 2019-11-26 03:15:08 UTC FDB017731 Isoobtusilactone A Isolated from Persea borbonia (red bay) and other Persea subspecies Isoobtusilactone A is found in herbs and spices. Borbonol 2 Isoobtusilactone A C19H32O3 308.4556 308.23514489 (3Z)-4-hydroxy-5-methylidene-3-tetradecylideneoxolan-2-one (3Z)-4-hydroxy-5-methylidene-3-tetradecylideneoxolan-2-one 56522-15-7 CCCCCCCCCCCCC\C=C1\C(O)C(=C)OC1=O InChI=1S/C19H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-18(20)16(2)22-19(17)21/h15,18,20H,2-14H2,1H3/b17-15- FCLYKYQBTSMTJB-ICFOKQHNSA-N belongs to the class of organic compounds known as tetrahydrofurans. These are heterocyclic compounds containing a saturated, aliphatic, five-membered ring where a carbon is replaced by an oxygen. Tetrahydrofurans Organic compounds Organoheterocyclic compounds Tetrahydrofurans Aliphatic heteromonocyclic compounds Carbonyl compounds Enoate esters Enol esters Hydrocarbon derivatives Lactones Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Secondary alcohols Alcohol Aliphatic heteromonocyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid derivative Carboxylic acid ester Enoate ester Enol ester Hydrocarbon derivative Lactone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Secondary alcohol Tetrahydrofuran logp 6.44 ALOGPS logs -5.68 ALOGPS solubility 6.51e-04 g/l ALOGPS logp 5.86 ChemAxon pka_strongest_acidic 12.87 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac (3Z)-4-hydroxy-5-methylidene-3-tetradecylideneoxolan-2-one ChemAxon average_mass 308.4556 ChemAxon mono_mass 308.23514489 ChemAxon smiles CCCCCCCCCCCCC\C=C1\C(O)C(=C)OC1=O ChemAxon formula C19H32O3 ChemAxon inchi InChI=1S/C19H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-18(20)16(2)22-19(17)21/h15,18,20H,2-14H2,1H3/b17-15- ChemAxon inchikey FCLYKYQBTSMTJB-ICFOKQHNSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 91.54 ChemAxon polarizability 38.84 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24793 Specdb::CMs 42272 Specdb::CMs 166714 Specdb::MsMs 71349 Specdb::MsMs 71350 Specdb::MsMs 71351 Specdb::MsMs 129999 Specdb::MsMs 130000 Specdb::MsMs 130001 Specdb::MsMs 2300898 Specdb::MsMs 2300899 Specdb::MsMs 2300900 Specdb::MsMs 3064976 Specdb::MsMs 3064977 Specdb::MsMs 3064978 HMDB30960 #<Reference:0x000055ce3261ff20> Herbs and Spices Unknown generic