1.0 2010-04-08 22:15:08 UTC 2019-11-26 03:19:12 UTC FDB020612 (R)-6'-O-Formylmarmin Constituent of Citrus hassaku. (R)-6'-O-Formylmarmin is found in citrus. (R)-6'-O-Formylmarmin 6'-O-Formylmarmin C20H24O6 360.401 360.1572885 (6E)-2-hydroxy-2,6-dimethyl-8-[(2-oxo-2H-chromen-7-yl)oxy]oct-6-en-3-yl formate (6E)-2-hydroxy-2,6-dimethyl-8-[(2-oxochromen-7-yl)oxy]oct-6-en-3-yl formate 144398-51-6 C\C(CCC(OC=O)C(C)(C)O)=C/COC1=CC=C2C=CC(=O)OC2=C1 InChI=1S/C20H24O6/c1-14(4-8-18(25-13-21)20(2,3)23)10-11-24-16-7-5-15-6-9-19(22)26-17(15)12-16/h5-7,9-10,12-13,18,23H,4,8,11H2,1-3H3/b14-10+ DDOGXGOJGIHGOH-GXDHUFHOSA-N belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one). Coumarins and derivatives Organic compounds Phenylpropanoids and polyketides Coumarins and derivatives Aromatic heteropolycyclic compounds 1-benzopyrans Alkyl aryl ethers Benzenoids Carbonyl compounds Carboxylic acid esters Heteroaromatic compounds Hydrocarbon derivatives Lactones Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Pyranones and derivatives Tertiary alcohols 1-benzopyran Alcohol Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Benzopyran Carbonyl group Carboxylic acid derivative Carboxylic acid ester Coumarin Ether Heteroaromatic compound Hydrocarbon derivative Lactone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyran Pyranone Tertiary alcohol logp 3.46 ALOGPS logs -4.80 ALOGPS solubility 5.70e-03 g/l ALOGPS logp 2.9 ChemAxon pka_strongest_acidic 14.3 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac (6E)-2-hydroxy-2,6-dimethyl-8-[(2-oxo-2H-chromen-7-yl)oxy]oct-6-en-3-yl formate ChemAxon average_mass 360.401 ChemAxon mono_mass 360.1572885 ChemAxon smiles C\C(CCC(OC=O)C(C)(C)O)=C/COC1=CC=C2C=CC(=O)OC2=C1 ChemAxon formula C20H24O6 ChemAxon inchi InChI=1S/C20H24O6/c1-14(4-8-18(25-13-21)20(2,3)23)10-11-24-16-7-5-15-6-9-19(22)26-17(15)12-16/h5-7,9-10,12-13,18,23H,4,8,11H2,1-3H3/b14-10+ ChemAxon inchikey DDOGXGOJGIHGOH-GXDHUFHOSA-N ChemAxon polar_surface_area 82.06 ChemAxon refractivity 97.94 ChemAxon polarizability 38.75 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21021 Specdb::CMs 46972 Specdb::CMs 146047 Specdb::MsMs 312805 Specdb::MsMs 312806 Specdb::MsMs 312807 Specdb::MsMs 358144 Specdb::MsMs 358145 Specdb::MsMs 358146 Specdb::MsMs 2401577 Specdb::MsMs 2401578 Specdb::MsMs 2401579 Specdb::MsMs 2533386 Specdb::MsMs 2533387 Specdb::MsMs 2533388 HMDB40796 #<Reference:0x000055ce32555f68> Citrus Unknown generic