1.0 2010-04-08 22:10:54 UTC 2019-11-26 03:09:01 UTC FDB013766 Pinusolide Constituent of the oleorosin of Pinus koraiensis (Korean pine). Pinusolide is found in herbs and spices and fruits. Pinusolide C21H30O4 346.4605 346.214409448 methyl 1,4a-dimethyl-6-methylidene-5-[2-(2-oxo-2,5-dihydrofuran-3-yl)ethyl]-decahydronaphthalene-1-carboxylate methyl 1,4a-dimethyl-6-methylidene-5-[2-(2-oxo-5H-furan-3-yl)ethyl]-hexahydro-2H-naphthalene-1-carboxylate 31685-80-0 COC(=O)C1(C)CCCC2(C)C(CCC3=CCOC3=O)C(=C)CCC12 InChI=1S/C21H30O4/c1-14-6-9-17-20(2,11-5-12-21(17,3)19(23)24-4)16(14)8-7-15-10-13-25-18(15)22/h10,16-17H,1,5-9,11-13H2,2-4H3 WTKBZJAWPZXKJU-UHFFFAOYSA-N belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety. Diterpene lactones Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene lactones Aliphatic heteropolycyclic compounds Butenolides Carbonyl compounds Colensane and clerodane diterpenoids Dicarboxylic acids and derivatives Enoate esters Hydrocarbon derivatives Lactones Methyl esters Organic oxides Oxacyclic compounds 2-furanone Aliphatic heteropolycyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid derivative Carboxylic acid ester Clerodane diterpenoid Dicarboxylic acid or derivatives Dihydrofuran Diterpene lactone Diterpenoid Enoate ester Hydrocarbon derivative Lactone Methyl ester Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle logp 4.56 ALOGPS logs -5.42 ALOGPS solubility 1.32e-03 g/l ALOGPS melting_point Mp 83-84° logp 4.59 ChemAxon pka_strongest_acidic 14.99 ChemAxon pka_strongest_basic -6.7 ChemAxon iupac methyl 1,4a-dimethyl-6-methylidene-5-[2-(2-oxo-2,5-dihydrofuran-3-yl)ethyl]-decahydronaphthalene-1-carboxylate ChemAxon average_mass 346.4605 ChemAxon mono_mass 346.214409448 ChemAxon smiles COC(=O)C1(C)CCCC2(C)C(CCC3=CCOC3=O)C(=C)CCC12 ChemAxon formula C21H30O4 ChemAxon inchi InChI=1S/C21H30O4/c1-14-6-9-17-20(2,11-5-12-21(17,3)19(23)24-4)16(14)8-7-15-10-13-25-18(15)22/h10,16-17H,1,5-9,11-13H2,2-4H3 ChemAxon inchikey WTKBZJAWPZXKJU-UHFFFAOYSA-N ChemAxon polar_surface_area 52.6 ChemAxon refractivity 96.77 ChemAxon polarizability 39.13 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9778 Specdb::MsMs 6785 Specdb::MsMs 6786 Specdb::MsMs 6787 Specdb::MsMs 13457 Specdb::MsMs 13458 Specdb::MsMs 13459 HMDB35130 #<Reference:0x000055ce315be230> Fruits Unknown generic Herbs and Spices Unknown generic