1.0 2010-04-08 22:09:34 UTC 2025-11-18 23:26:14 UTC FDB011314 Junosmarin Constituent of Citrus junos (yuzu). Junosmarin is found in citrus. Junosmarin C19H22O6 346.3744 346.141638436 14-hydroxy-12,12-dimethyl-4-oxo-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),5,8-tetraen-13-yl 3-methylbutanoate 14-hydroxy-12,12-dimethyl-4-oxo-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),5,8-tetraen-13-yl 3-methylbutanoate CC(C)CC(=O)OC1C(O)C2=C(OC1(C)C)C=CC1=C2OC(=O)C=C1 InChI=1S/C19H22O6/c1-10(2)9-14(21)24-18-16(22)15-12(25-19(18,3)4)7-5-11-6-8-13(20)23-17(11)15/h5-8,10,16,18,22H,9H2,1-4H3 GWZZKJQYTUFZHD-UHFFFAOYSA-N belongs to the class of organic compounds known as angular pyranocoumarins. These are organic compounds containing a pyran (or a hydrogenated derivative) angularly fused to a coumarin moiety. Angular pyranocoumarins Organic compounds Phenylpropanoids and polyketides Coumarins and derivatives Pyranocoumarins Aromatic heteropolycyclic compounds 2,2-dimethyl-1-benzopyrans Alkyl aryl ethers Benzenoids Carbonyl compounds Carboxylic acid esters Fatty acid esters Heteroaromatic compounds Hydrocarbon derivatives Lactones Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Pyranochromenes Pyranones and derivatives Secondary alcohols 1-benzopyran 2,2-dimethyl-1-benzopyran Alcohol Alkyl aryl ether Angular pyranocoumarin Aromatic heteropolycyclic compound Benzenoid Benzopyran Carbonyl group Carboxylic acid derivative Carboxylic acid ester Chromane Ether Fatty acid ester Fatty acyl Heteroaromatic compound Hydrocarbon derivative Lactone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyran Pyranochromene Pyranone Secondary alcohol logp 2.88 ALOGPS logs -2.91 ALOGPS solubility 4.22e-01 g/l ALOGPS logp 2.69 ChemAxon pka_strongest_acidic 12.82 ChemAxon pka_strongest_basic -3.8 ChemAxon iupac 14-hydroxy-12,12-dimethyl-4-oxo-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),5,8-tetraen-13-yl 3-methylbutanoate ChemAxon average_mass 346.3744 ChemAxon mono_mass 346.141638436 ChemAxon smiles CC(C)CC(=O)OC1C(O)C2=C(OC1(C)C)C=CC1=C2OC(=O)C=C1 ChemAxon formula C19H22O6 ChemAxon inchi InChI=1S/C19H22O6/c1-10(2)9-14(21)24-18-16(22)15-12(25-19(18,3)4)7-5-11-6-8-13(20)23-17(11)15/h5-8,10,16,18,22H,9H2,1-4H3 ChemAxon inchikey GWZZKJQYTUFZHD-UHFFFAOYSA-N ChemAxon polar_surface_area 82.06 ChemAxon refractivity 90.48 ChemAxon polarizability 36.29 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26017 Specdb::CMs 43205 Specdb::CMs 166126 Specdb::MsMs 9062 Specdb::MsMs 9063 Specdb::MsMs 9064 Specdb::MsMs 15734 Specdb::MsMs 15735 Specdb::MsMs 15736 Specdb::MsMs 2443285 Specdb::MsMs 2443286 Specdb::MsMs 2443287 Specdb::MsMs 2519822 Specdb::MsMs 2519823 Specdb::MsMs 2519824 HMDB33290 #<Reference:0x00007f093c17b460> Citrus Unknown generic