1.0 2010-04-08 22:14:18 UTC 2018-05-29 01:41:35 UTC FDB019352 12alpha-12-Hydroxy-7,13-abietadien-18-oic acid Constituent of Pinus sylvestris (Scotch pine) C20H30O3 318.4504 318.219494826 6-hydroxy-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylic acid 6-hydroxy-7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid 3484-61-5 CC(C)C1=CC2=CCC3C(C)(CCCC3(C)C(O)=O)C2CC1O InChI=1S/C20H30O3/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h6,10,12,15-17,21H,5,7-9,11H2,1-4H3,(H,22,23) DYNISIGUMYFVJW-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 Secondary alcohols Abietane diterpenoid Alcohol 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 Secondary alcohol logp 4.31 ALOGPS logs -3.55 ALOGPS solubility 8.96e-02 g/l ALOGPS logp 3.72 ChemAxon pka_strongest_acidic 4.47 ChemAxon pka_strongest_basic -1.1 ChemAxon iupac 6-hydroxy-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylic acid ChemAxon average_mass 318.4504 ChemAxon mono_mass 318.219494826 ChemAxon smiles CC(C)C1=CC2=CCC3C(C)(CCCC3(C)C(O)=O)C2CC1O ChemAxon formula C20H30O3 ChemAxon inchi InChI=1S/C20H30O3/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h6,10,12,15-17,21H,5,7-9,11H2,1-4H3,(H,22,23) ChemAxon inchikey DYNISIGUMYFVJW-UHFFFAOYSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 92.73 ChemAxon polarizability 37.06 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11788 Specdb::CMs 46532 Specdb::CMs 148671 Specdb::MsMs 86373 Specdb::MsMs 86374 Specdb::MsMs 86375 Specdb::MsMs 148659 Specdb::MsMs 148660 Specdb::MsMs 148661 Specdb::MsMs 2749471 Specdb::MsMs 2749472 Specdb::MsMs 2749473 Specdb::MsMs 2933310 Specdb::MsMs 2933311 Specdb::MsMs 2933312 HMDB39716 #<Reference:0x000055ce32061de0>