1.0 2010-04-08 22:11:13 UTC 2019-11-26 03:09:54 UTC FDB014358 3,14-Dihydroxy-11,13-dihydrocostunolide Constituent of Lactuca sativa (lettuce). 3,14-Dihydroxy-11,13-dihydrocostunolide is found in green vegetables. 3,14-Dihydroxy-11,13-dihydrocostunolide C15H22O4 266.3328 266.151809192 9-hydroxy-6-(hydroxymethyl)-3,10-dimethyl-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-2-one 9-hydroxy-6-(hydroxymethyl)-3,10-dimethyl-3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-2-one 102518-83-2 CC1C2CC\C(CO)=C/CC(O)\C(C)=C/C2OC1=O InChI=1S/C15H22O4/c1-9-7-14-12(10(2)15(18)19-14)5-3-11(8-16)4-6-13(9)17/h4,7,10,12-14,16-17H,3,5-6,8H2,1-2H3/b9-7-,11-4+ KUERQAIAYCRGOB-WHIYXEERSA-N belongs to the class of organic compounds known as germacranolides and derivatives. These are sesquiterpene lactones with a structure based on the germacranolide skeleton, characterized by a gamma lactone fused to a 1,7-dimethylcyclodec-1-ene moiety. Germacranolides and derivatives Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene lactones Aliphatic heteropolycyclic compounds Carbonyl compounds Carboxylic acid esters Gamma butyrolactones Germacrane sesquiterpenoids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Primary alcohols Secondary alcohols Tetrahydrofurans Alcohol Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Gamma butyrolactone Germacrane sesquiterpenoid Germacranolide Hydrocarbon derivative Lactone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Primary alcohol Secondary alcohol Sesquiterpenoid Tetrahydrofuran logp 1.37 ALOGPS logs -2.48 ALOGPS solubility 8.76e-01 g/l ALOGPS melting_point Mp 110° logp 1.16 ChemAxon pka_strongest_acidic 14.55 ChemAxon pka_strongest_basic -2 ChemAxon iupac 9-hydroxy-6-(hydroxymethyl)-3,10-dimethyl-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-2-one ChemAxon average_mass 266.3328 ChemAxon mono_mass 266.151809192 ChemAxon smiles CC1C2CC\C(CO)=C/CC(O)\C(C)=C/C2OC1=O ChemAxon formula C15H22O4 ChemAxon inchi InChI=1S/C15H22O4/c1-9-7-14-12(10(2)15(18)19-14)5-3-11(8-16)4-6-13(9)17/h4,7,10,12-14,16-17H,3,5-6,8H2,1-2H3/b9-7-,11-4+ ChemAxon inchikey KUERQAIAYCRGOB-WHIYXEERSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 73.43 ChemAxon polarizability 29.13 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 74565 Specdb::MsMs 74566 Specdb::MsMs 74567 Specdb::MsMs 133989 Specdb::MsMs 133990 Specdb::MsMs 133991 Specdb::MsMs 2819064 Specdb::MsMs 2819065 Specdb::MsMs 2819066 Specdb::MsMs 2890333 Specdb::MsMs 2890334 Specdb::MsMs 2890335 Specdb::CMs 15059 Specdb::CMs 44475 Specdb::CMs 134570 Specdb::CMs 142304 HMDB35647 #<Reference:0x00007f093c05b0d0> Green vegetables Unknown generic