1.0 2010-04-08 22:14:01 UTC 2019-11-26 03:16:53 UTC FDB018922 Isolimonic acid 16->17-lactone Constituent of Citrus subspecies Isolimonic acid 16->17-lactone is found in citrus. Isolimonic acid 16->17-lactone C26H32O9 488.5269 488.204632622 3-[7-(furan-3-yl)-1,8,15,15-tetramethyl-5,18-dioxo-3,6,14-trioxapentacyclo[9.7.0.0²,⁴.0²,⁸.0¹²,¹⁶]octadecan-12-yl]-3-hydroxypropanoic acid 3-[7-(furan-3-yl)-1,8,15,15-tetramethyl-5,18-dioxo-3,6,14-trioxapentacyclo[9.7.0.0²,⁴.0²,⁸.0¹²,¹⁶]octadecan-12-yl]-3-hydroxypropanoic acid 74729-97-8 CC1(C)OCC2(C(O)CC(O)=O)C1CC(=O)C1(C)C2CCC2(C)C(OC(=O)C3OC123)C1=COC=C1 InChI=1S/C26H32O9/c1-22(2)15-9-16(27)24(4)14(25(15,12-33-22)17(28)10-18(29)30)5-7-23(3)19(13-6-8-32-11-13)34-21(31)20-26(23,24)35-20/h6,8,11,14-15,17,19-20,28H,5,7,9-10,12H2,1-4H3,(H,29,30) SZSLZBYOLTYIOE-UHFFFAOYSA-N belongs to the class of organic compounds known as steroid lactones. These are sterol lipids containing a lactone moiety linked to the steroid skeleton. Steroid lactones Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Steroid lactones Aromatic heteropolycyclic compounds 1,4-dioxepanes 11-oxosteroids Beta hydroxy acids and derivatives Carbocyclic fatty acids Carboxylic acid esters Carboxylic acids Delta valerolactones Dialkyl ethers Dicarboxylic acids and derivatives Epoxides Furans Heteroaromatic compounds Hydrocarbon derivatives Hydroxy fatty acids Ketones Naphthalenes Naphthopyrans Organic oxides Oxacyclic compounds Oxanes Pyrans Secondary alcohols Tetrahydrofurans 1,4-dioxepane 11-oxosteroid 2-oxosteroid Alcohol Aromatic heteropolycyclic compound Beta-hydroxy acid Carbocyclic fatty acid Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Delta valerolactone Delta_valerolactone Dialkyl ether Dicarboxylic acid or derivatives Dioxepane Ether Fatty acyl Furan Heteroaromatic compound Hydrocarbon derivative Hydroxy acid Hydroxy fatty acid Ketone Lactone Naphthalene Naphthopyran Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Oxirane Oxosteroid Pyran Secondary alcohol Steroid lactone Tetrahydrofuran logp 2.44 ALOGPS logs -3.54 ALOGPS solubility 1.42e-01 g/l ALOGPS logp 1.79 ChemAxon pka_strongest_acidic 4.07 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac 3-[7-(furan-3-yl)-1,8,15,15-tetramethyl-5,18-dioxo-3,6,14-trioxapentacyclo[9.7.0.0²,⁴.0²,⁸.0¹²,¹⁶]octadecan-12-yl]-3-hydroxypropanoic acid ChemAxon average_mass 488.5269 ChemAxon mono_mass 488.204632622 ChemAxon smiles CC1(C)OCC2(C(O)CC(O)=O)C1CC(=O)C1(C)C2CCC2(C)C(OC(=O)C3OC123)C1=COC=C1 ChemAxon formula C26H32O9 ChemAxon inchi InChI=1S/C26H32O9/c1-22(2)15-9-16(27)24(4)14(25(15,12-33-22)17(28)10-18(29)30)5-7-23(3)19(13-6-8-32-11-13)34-21(31)20-26(23,24)35-20/h6,8,11,14-15,17,19-20,28H,5,7,9-10,12H2,1-4H3,(H,29,30) ChemAxon inchikey SZSLZBYOLTYIOE-UHFFFAOYSA-N ChemAxon polar_surface_area 135.8 ChemAxon refractivity 118.21 ChemAxon polarizability 48.95 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 7 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22604 Specdb::CMs 46379 Specdb::CMs 171828 Specdb::MsMs 73497 Specdb::MsMs 73498 Specdb::MsMs 73499 Specdb::MsMs 132693 Specdb::MsMs 132694 Specdb::MsMs 132695 Specdb::MsMs 2787928 Specdb::MsMs 2787929 Specdb::MsMs 2787930 Specdb::MsMs 2918120 Specdb::MsMs 2918121 Specdb::MsMs 2918122 HMDB39364 #<Reference:0x000055ce32123f08> Citrus Unknown generic