1.0 2010-04-08 22:12:02 UTC 2018-05-29 01:21:42 UTC FDB015757 Isopimaric acid Isolated from Pinus palustris (pitch pine) (13alpha)-pimara-7,15-dien-18-oic acid (13S)-pimara-7,15-dien-18-oic acid 4-Epi-isopimaric acid 7,15-Isopimaradien-18-oic acid Isodextropimaric acid Isopimaric acid Micropinic acid miropinic acid Neoisodextropimaric acid C20H30O2 302.451 302.224580204 7-ethenyl-1,4a,7-trimethyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthrene-1-carboxylic acid isopimaric acid 5835-26-7 CC1(CCC2C(C1)=CCC1C2(C)CCCC1(C)C(O)=O)C=C InChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,7,15-16H,1,6,8-13H2,2-4H3,(H,21,22) MXYATHGRPJZBNA-UHFFFAOYSA-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 Hydrocarbon derivatives Hydrophenanthrenes Monocarboxylic acids and derivatives Organic oxides Aliphatic homopolycyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Diterpenoid Hydrocarbon derivative Hydrophenanthrene Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Phenanthrene Pimarane diterpenoid logp 5.28 ALOGPS logs -5.67 ALOGPS solubility 6.53e-04 g/l ALOGPS melting_point Mp 162-164° logp 5.07 ChemAxon pka_strongest_acidic 4.8 ChemAxon iupac 7-ethenyl-1,4a,7-trimethyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthrene-1-carboxylic acid ChemAxon average_mass 302.451 ChemAxon mono_mass 302.224580204 ChemAxon smiles CC1(CCC2C(C1)=CCC1C2(C)CCCC1(C)C(O)=O)C=C ChemAxon formula C20H30O2 ChemAxon inchi InChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,7,15-16H,1,6,8-13H2,2-4H3,(H,21,22) ChemAxon inchikey MXYATHGRPJZBNA-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 90.33 ChemAxon polarizability 35.94 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23747 Specdb::CMs 45049 Specdb::MsMs 11096 Specdb::MsMs 11097 Specdb::MsMs 11098 Specdb::MsMs 17768 Specdb::MsMs 17769 Specdb::MsMs 17770 HMDB36811 6039 #<Reference:0x000055ce3063dbf8>