1.0 2010-04-08 22:15:03 UTC 2019-11-26 03:18:58 UTC FDB020469 3-Oxo-alpha-ionol 9-[apiosyl-(1->6)-glucoside] Constituent of Eriobotrya japonica (loquat). 3-Oxo-alpha-ionol 9-[apiosyl-(1->6)-glucoside] is found in fruits. (3S,7E,9R)-9-Hydroxy-4,7-megastigmadien-3-one 9-[apiosyl-(1->6)-glucoside] (3S,7E,9R)-9-Hydroxy-4,7-megastigmadien-3-one 9-O-[b-D-apiofuranosyl-(1->6)-b-D-glucopyranoside] (3S,7E,9R)-9-Hydroxy-4,7-megastigmadien-3-one 9-O-[b-D-apiosyl-(1->6)-b-D-glucoside] 3-Oxo-alpha-ionol 9-[apiosyl-(1->6)-glucoside] 3-Oxo-alpha-ionol 9-O-[b-D-apiofuranosyl-(1->6)-b-D-glucopyranoside] 3-Oxo-alpha-ionol 9-O-[b-D-apiosyl-(1->6)-b-D-glucoside] C24H38O11 502.5519 502.241412058 4-[(1E)-3-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}but-1-en-1-yl]-3,5,5-trimethylcyclohex-2-en-1-one 4-[(1E)-3-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}but-1-en-1-yl]-3,5,5-trimethylcyclohex-2-en-1-one 143363-62-6 CC(OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O)\C=C\C1C(C)=CC(=O)CC1(C)C InChI=1S/C24H38O11/c1-12-7-14(26)8-23(3,4)15(12)6-5-13(2)34-21-19(29)18(28)17(27)16(35-21)9-32-22-20(30)24(31,10-25)11-33-22/h5-7,13,15-22,25,27-31H,8-11H2,1-4H3/b6-5+ DQQUPMXQGJRNAW-AATRIKPKSA-N belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol. Fatty acyl glycosides of mono- and disaccharides Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides Aliphatic heteromonocyclic compounds Acetals Alkyl glycosides Cyclohexenones Disaccharides Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Sesquiterpenoids Tertiary alcohols Tetrahydrofurans Acetal Alcohol Aliphatic heteromonocyclic compound Alkyl glycoside Carbonyl group Cyclic ketone Cyclofarsesane sesquiterpenoid Cyclohexenone Disaccharide Fatty acyl glycoside of mono- or disaccharide Glycosyl compound Hydrocarbon derivative Ionone derivative Ketone Megastigmane sesquiterpenoid O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Sesquiterpenoid Tertiary alcohol Tetrahydrofuran logp -0.45 ALOGPS logs -2.56 ALOGPS solubility 1.40e+00 g/l ALOGPS logp -0.78 ChemAxon pka_strongest_acidic 11.7 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac 4-[(1E)-3-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}but-1-en-1-yl]-3,5,5-trimethylcyclohex-2-en-1-one ChemAxon average_mass 502.5519 ChemAxon mono_mass 502.241412058 ChemAxon smiles CC(OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O)\C=C\C1C(C)=CC(=O)CC1(C)C ChemAxon formula C24H38O11 ChemAxon inchi InChI=1S/C24H38O11/c1-12-7-14(26)8-23(3,4)15(12)6-5-13(2)34-21-19(29)18(28)17(27)16(35-21)9-32-22-20(30)24(31,10-25)11-33-22/h5-7,13,15-22,25,27-31H,8-11H2,1-4H3/b6-5+ ChemAxon inchikey DQQUPMXQGJRNAW-AATRIKPKSA-N ChemAxon polar_surface_area 175.37 ChemAxon refractivity 122.79 ChemAxon polarizability 52.24 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 11 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17078 Specdb::CMs 46892 Specdb::MsMs 303787 Specdb::MsMs 303788 Specdb::MsMs 303789 Specdb::MsMs 346810 Specdb::MsMs 346811 Specdb::MsMs 346812 Specdb::MsMs 2291223 Specdb::MsMs 2291224 Specdb::MsMs 2291225 Specdb::MsMs 2643594 Specdb::MsMs 2643595 Specdb::MsMs 2643596 Specdb::NmrOneD 42782 Specdb::NmrOneD 42783 Specdb::NmrOneD 42784 Specdb::NmrOneD 42785 Specdb::NmrOneD 42786 Specdb::NmrOneD 42787 Specdb::NmrOneD 42788 Specdb::NmrOneD 42789 Specdb::NmrOneD 42790 Specdb::NmrOneD 42791 Specdb::NmrOneD 42792 Specdb::NmrOneD 42793 Specdb::NmrOneD 42794 Specdb::NmrOneD 42795 Specdb::NmrOneD 42796 Specdb::NmrOneD 42797 Specdb::NmrOneD 42798 Specdb::NmrOneD 42799 Specdb::NmrOneD 42800 Specdb::NmrOneD 42801 HMDB40672 #<Reference:0x000055ce3264dce0> Fruits Unknown generic