1.0 2010-04-08 22:09:19 UTC 2019-11-26 03:04:09 UTC FDB010811 7-Acetoxy-6-hydroxylimonin Constituent of Ruta graveolens (rue). 7-Acetoxy-6-hydroxylimonin is found in herbs and spices. 7-Acetoxy-6-hydroxylimonin C28H34O10 530.5636 530.215197308 19-(furan-3-yl)-11-hydroxy-9,9,13,20-tetramethyl-5,17-dioxo-4,8,15,18-tetraoxahexacyclo[11.9.0.0²,⁷.0²,¹⁰.0¹⁴,¹⁶.0¹⁴,²⁰]docosan-12-yl acetate 19-(furan-3-yl)-11-hydroxy-9,9,13,20-tetramethyl-5,17-dioxo-4,8,15,18-tetraoxahexacyclo[11.9.0.0²,⁷.0²,¹⁰.0¹⁴,¹⁶.0¹⁴,²⁰]docosan-12-yl acetate 208333-73-7 CC(=O)OC1C(O)C2C(C)(C)OC3CC(=O)OCC23C2CCC3(C)C(OC(=O)C4OC34C12C)C1=COC=C1 InChI=1S/C28H34O10/c1-13(29)35-21-18(31)19-24(2,3)37-16-10-17(30)34-12-27(16,19)15-6-8-25(4)20(14-7-9-33-11-14)36-23(32)22-28(25,38-22)26(15,21)5/h7,9,11,15-16,18-22,31H,6,8,10,12H2,1-5H3 LFAMVZIOUNWBKU-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 Carbonyl compounds Carboxylic acid esters Cyclic alcohols and derivatives Delta valerolactones Dialkyl ethers Epoxides Furans Heteroaromatic compounds Hydrocarbon derivatives Naphthalenes Naphthopyrans Organic oxides Oxacyclic compounds Oxanes Oxosteroids Pyrans Secondary alcohols Tetrahydrofurans Tricarboxylic acids and derivatives 1,4-dioxepane 2-oxosteroid Alcohol Aromatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Delta valerolactone Delta_valerolactone Dialkyl ether Dioxepane Ether Furan Heteroaromatic compound Hydrocarbon derivative Lactone Naphthalene Naphthopyran Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Oxirane Oxosteroid Pyran Secondary alcohol Steroid lactone Tetrahydrofuran Tricarboxylic acid or derivatives logp 3.09 ALOGPS logs -3.60 ALOGPS solubility 1.32e-01 g/l ALOGPS melting_point Mp 278-280° logp 1.3 ChemAxon pka_strongest_acidic 13.79 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac 19-(furan-3-yl)-11-hydroxy-9,9,13,20-tetramethyl-5,17-dioxo-4,8,15,18-tetraoxahexacyclo[11.9.0.0²,⁷.0²,¹⁰.0¹⁴,¹⁶.0¹⁴,²⁰]docosan-12-yl acetate ChemAxon average_mass 530.5636 ChemAxon mono_mass 530.215197308 ChemAxon smiles CC(=O)OC1C(O)C2C(C)(C)OC3CC(=O)OCC23C2CCC3(C)C(OC(=O)C4OC34C12C)C1=COC=C1 ChemAxon formula C28H34O10 ChemAxon inchi InChI=1S/C28H34O10/c1-13(29)35-21-18(31)19-24(2,3)37-16-10-17(30)34-12-27(16,19)15-6-8-25(4)20(14-7-9-33-11-14)36-23(32)22-28(25,38-22)26(15,21)5/h7,9,11,15-16,18-22,31H,6,8,10,12H2,1-5H3 ChemAxon inchikey LFAMVZIOUNWBKU-UHFFFAOYSA-N ChemAxon polar_surface_area 134.03 ChemAxon refractivity 125.96 ChemAxon polarizability 52.72 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 6 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25623 Specdb::CMs 42981 Specdb::CMs 199555 Specdb::CMs 281070 Specdb::MsMs 92745 Specdb::MsMs 92746 Specdb::MsMs 92747 Specdb::MsMs 156420 Specdb::MsMs 156421 Specdb::MsMs 156422 Specdb::MsMs 2393887 Specdb::MsMs 2393888 Specdb::MsMs 2393889 Specdb::MsMs 2571359 Specdb::MsMs 2571360 Specdb::MsMs 2571361 HMDB32834 #<Reference:0x000055ce31ea26d0> Herbs and Spices Unknown generic