1.0 2010-04-08 22:10:37 UTC 2019-11-26 03:08:16 UTC FDB013286 Saussurea lactone From costus root oil (Saussurea lappa), probably formed by pyrolysis of Dihydrocostunolide. Saussurea lactone is found in herbs and spices. (all-S)-Hexahydro-7-isopropenyl-3,6-dimethyl-6-vinyl-2(3H)-benzofuranone 2-Pyridinecarboxylic acid, 6-chloro-, methyl ester methyl 6-chloro-2-pyridinecarboxylate Methyl 6-chloropicolinate Picolinic acid, 6-chloro-, methyl ester Saussurea lactone C15H22O2 234.334 234.161979948 6-ethenyl-3,6-dimethyl-7-(prop-1-en-2-yl)-octahydro-1-benzofuran-2-one 6-ethenyl-3,6-dimethyl-7-(prop-1-en-2-yl)-hexahydro-1-benzofuran-2-one 23527-07-3 CC1C2CCC(C)(C=C)C(C2OC1=O)C(C)=C InChI=1S/C15H22O2/c1-6-15(5)8-7-11-10(4)14(16)17-13(11)12(15)9(2)3/h6,10-13H,1-2,7-8H2,3-5H3 LMNJALUUIMXUQQ-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 heteropolycyclic compounds Benzofurans Carbonyl compounds Carboxylic acid esters Elemanolides Gamma butyrolactones Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Tetrahydrofurans Aliphatic heteropolycyclic compound Benzofuran Carbonyl group Carboxylic acid derivative Carboxylic acid ester Diterpenoid Elemanolide-skeleton Gamma butyrolactone Hydrocarbon derivative Lactone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Tetrahydrofuran logp 3.81 ALOGPS logs -3.95 ALOGPS solubility 2.62e-02 g/l ALOGPS melting_point Mp 148-149° logp 3.45 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac 6-ethenyl-3,6-dimethyl-7-(prop-1-en-2-yl)-octahydro-1-benzofuran-2-one ChemAxon average_mass 234.334 ChemAxon mono_mass 234.161979948 ChemAxon smiles CC1C2CCC(C)(C=C)C(C2OC1=O)C(C)=C ChemAxon formula C15H22O2 ChemAxon inchi InChI=1S/C15H22O2/c1-6-15(5)8-7-11-10(4)14(16)17-13(11)12(15)9(2)3/h6,10-13H,1-2,7-8H2,3-5H3 ChemAxon inchikey LMNJALUUIMXUQQ-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 68.16 ChemAxon polarizability 27.15 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16517 Specdb::CMs 174740 Specdb::MsMs 10223 Specdb::MsMs 10224 Specdb::MsMs 10225 Specdb::MsMs 16895 Specdb::MsMs 16896 Specdb::MsMs 16897 Specdb::MsMs 2463834 Specdb::MsMs 2463835 Specdb::MsMs 2463836 Specdb::MsMs 2501957 Specdb::MsMs 2501958 Specdb::MsMs 2501959 HMDB34742 #<Reference:0x000055ce3053c268> Herbs and Spices Unknown generic