1.0 2010-04-08 22:10:49 UTC 2019-11-26 03:08:45 UTC FDB013637 Desoxylimonin Isolated from grapefruit seeds. Desoxylimonin is found in citrus. Deoxylimonin Desoxylimonin C26H30O7 454.5122 454.199153314 18-(furan-3-yl)-9,9,13,19-tetramethyl-4,8,17-trioxapentacyclo[11.8.0.0²,⁷.0²,¹⁰.0¹⁴,¹⁹]henicos-14-ene-5,12,16-trione 18-(furan-3-yl)-9,9,13,19-tetramethyl-4,8,17-trioxapentacyclo[11.8.0.0²,⁷.0²,¹⁰.0¹⁴,¹⁹]henicos-14-ene-5,12,16-trione CC1(C)OC2CC(=O)OCC22C1CC(=O)C1(C)C2CCC2(C)C(OC(=O)C=C12)C1=COC=C1 InChI=1S/C26H30O7/c1-23(2)16-9-18(27)25(4)15(26(16)13-31-20(28)11-19(26)33-23)5-7-24(3)17(25)10-21(29)32-22(24)14-6-8-30-12-14/h6,8,10,12,15-16,19,22H,5,7,9,11,13H2,1-4H3 QUTATOGBENCRSS-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 11-oxosteroids Delta valerolactones Dialkyl ethers Dicarboxylic acids and derivatives Dihydropyranones Enoate esters Furans Heteroaromatic compounds Hydrocarbon derivatives Ketones Naphthalenes Naphthopyrans Organic oxides Oxacyclic compounds Oxanes Tetrahydrofurans 11-oxosteroid 2-oxosteroid Alpha,beta-unsaturated carboxylic ester Aromatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Delta valerolactone Delta_valerolactone Dialkyl ether Dicarboxylic acid or derivatives Dihydropyranone Enoate ester Ether Furan Heteroaromatic compound Hydrocarbon derivative Ketone Lactone Naphthalene Naphthopyran Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Oxosteroid Pyran Steroid lactone Tetrahydrofuran logp 3.58 ALOGPS logs -4.13 ALOGPS solubility 3.34e-02 g/l ALOGPS melting_point Mp 323-325° logp 3.05 ChemAxon pka_strongest_acidic 17.62 ChemAxon pka_strongest_basic -3.2 ChemAxon iupac 18-(furan-3-yl)-9,9,13,19-tetramethyl-4,8,17-trioxapentacyclo[11.8.0.0²,⁷.0²,¹⁰.0¹⁴,¹⁹]henicos-14-ene-5,12,16-trione ChemAxon average_mass 454.5122 ChemAxon mono_mass 454.199153314 ChemAxon smiles CC1(C)OC2CC(=O)OCC22C1CC(=O)C1(C)C2CCC2(C)C(OC(=O)C=C12)C1=COC=C1 ChemAxon formula C26H30O7 ChemAxon inchi InChI=1S/C26H30O7/c1-23(2)16-9-18(27)25(4)15(26(16)13-31-20(28)11-19(26)33-23)5-7-24(3)17(25)10-21(29)32-22(24)14-6-8-30-12-14/h6,8,10,12,15-16,19,22H,5,7,9,11,13H2,1-4H3 ChemAxon inchikey QUTATOGBENCRSS-UHFFFAOYSA-N ChemAxon polar_surface_area 92.04 ChemAxon refractivity 116.5 ChemAxon polarizability 46.04 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 4 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13231 Specdb::CMs 160328 Specdb::MsMs 8048 Specdb::MsMs 8049 Specdb::MsMs 8050 Specdb::MsMs 14720 Specdb::MsMs 14721 Specdb::MsMs 14722 Specdb::MsMs 2815438 Specdb::MsMs 2815439 Specdb::MsMs 2815440 Specdb::MsMs 2893349 Specdb::MsMs 2893350 Specdb::MsMs 2893351 HMDB35031 #<Reference:0x000055ce317670a0> Citrus Unknown generic