1.0 2010-04-08 22:13:04 UTC 2018-05-29 01:31:35 UTC FDB017403 8,13-Abietadien-18-oic acid Constituent of Pinus palustris (pitch pine) 13-Isopropyl-podocarpa-8,13-dien-15-Oic acid Palustric acid Podocarpa-8,13-dien-15-oic acid, 13-isopropyl- Podocarpa-8,13-dien-15-oic acid, 13-isopropyl- (8CI) C20H30O2 302.451 302.224580204 1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,5,6,9,10,10a-decahydrophenanthrene-1-carboxylic acid palustric acid 1945-53-5 CC(C)C1=CC2=C(CC1)C1(C)CCCC(C)(C1CC2)C(O)=O InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h12-13,17H,5-11H2,1-4H3,(H,21,22) MLBYBBUZURKHAW-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 Abietane diterpenoid 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 logp 5.10 ALOGPS logs -4.31 ALOGPS solubility 1.47e-02 g/l ALOGPS melting_point Mp 162-167° logp 4.91 ChemAxon pka_strongest_acidic 4.59 ChemAxon iupac 1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,5,6,9,10,10a-decahydrophenanthrene-1-carboxylic acid ChemAxon average_mass 302.451 ChemAxon mono_mass 302.224580204 ChemAxon smiles CC(C)C1=CC2=C(CC1)C1(C)CCCC(C)(C1CC2)C(O)=O ChemAxon formula C20H30O2 ChemAxon inchi InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h12-13,17H,5-11H2,1-4H3,(H,21,22) ChemAxon inchikey MLBYBBUZURKHAW-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 90.95 ChemAxon polarizability 36.45 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16628 Specdb::CMs 45712 Specdb::CMs 158919 Specdb::MsMs 91836 Specdb::MsMs 91837 Specdb::MsMs 91838 Specdb::MsMs 155319 Specdb::MsMs 155320 Specdb::MsMs 155321 Specdb::MsMs 2841600 Specdb::MsMs 2841601 Specdb::MsMs 2841602 Specdb::MsMs 2864262 Specdb::MsMs 2864263 Specdb::MsMs 2864264 HMDB38172 #<Reference:0x000055ce32494b38>