1.0 2010-04-08 22:12:03 UTC 2018-05-29 01:21:56 UTC FDB015777 Dehydropinifolic acid Constituent of Pinus sylvestris (Scotch pine) 8(17),13-labdadien-15,18-dioic acid 8(17),13-Labdadiene-15,18-dioic acid Dehydropinifolic acid C20H30O4 334.4498 334.214409448 5-[(3Z)-4-carboxy-3-methylbut-3-en-1-yl]-1,4a-dimethyl-6-methylidene-decahydronaphthalene-1-carboxylic acid 5-[(3Z)-4-carboxy-3-methylbut-3-en-1-yl]-1,4a-dimethyl-6-methylidene-hexahydro-2H-naphthalene-1-carboxylic acid 33123-07-8 C\C(CCC1C(=C)CCC2C1(C)CCCC2(C)C(O)=O)=C\C(O)=O InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)/b13-12- QYCOHMYDSOZCQD-SEYXRHQNSA-N belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. Diterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Diterpenoids Aliphatic homopolycyclic compounds Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Hydrocarbon derivatives Medium-chain fatty acids Methyl-branched fatty acids Organic oxides Unsaturated fatty acids Aliphatic homopolycyclic compound Branched fatty acid Carbonyl group Carboxylic acid Carboxylic acid derivative Dicarboxylic acid or derivatives Diterpenoid Fatty acid Fatty acyl Hydrocarbon derivative Labdane diterpenoid Medium-chain fatty acid Methyl-branched fatty acid Organic oxide Organic oxygen compound Organooxygen compound Unsaturated fatty acid logp 3.88 ALOGPS logs -4.34 ALOGPS solubility 1.54e-02 g/l ALOGPS melting_point Mp 190-192° logp 4.67 ChemAxon pka_strongest_acidic 4.57 ChemAxon iupac 5-[(3Z)-4-carboxy-3-methylbut-3-en-1-yl]-1,4a-dimethyl-6-methylidene-decahydronaphthalene-1-carboxylic acid ChemAxon average_mass 334.4498 ChemAxon mono_mass 334.214409448 ChemAxon smiles C\C(CCC1C(=C)CCC2C1(C)CCCC2(C)C(O)=O)=C\C(O)=O ChemAxon formula C20H30O4 ChemAxon inchi InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)/b13-12- ChemAxon inchikey QYCOHMYDSOZCQD-SEYXRHQNSA-N ChemAxon polar_surface_area 74.6 ChemAxon refractivity 93.64 ChemAxon polarizability 37.02 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14028 Specdb::CMs 45059 Specdb::CMs 136612 Specdb::CMs 144346 Specdb::MsMs 58110 Specdb::MsMs 58111 Specdb::MsMs 58112 Specdb::MsMs 113961 Specdb::MsMs 113962 Specdb::MsMs 113963 Specdb::MsMs 2387942 Specdb::MsMs 2387943 Specdb::MsMs 2387944 Specdb::MsMs 2578509 Specdb::MsMs 2578510 Specdb::MsMs 2578511 HMDB36828 #<Reference:0x000055ce31fc8618>