1.0 2010-04-08 22:15:28 UTC 2019-11-26 03:19:53 UTC FDB021097 Edulisin V Constituent of Angelica edulis. Edulisin V is found in green vegetables. Edulisin V C24H28O7 428.4749 428.18350325 2-{9-[(2-methylbutanoyl)oxy]-2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl}propan-2-yl (2Z)-2-methylbut-2-enoate 2-{9-[(2-methylbutanoyl)oxy]-2-oxo-8H,9H-furo[2,3-h]chromen-8-yl}propan-2-yl (2Z)-2-methylbut-2-enoate 158446-39-0 CCC(C)C(=O)OC1C(OC2=C1C1=C(C=C2)C=CC(=O)O1)C(C)(C)OC(=O)C(\C)=C/C InChI=1S/C24H28O7/c1-7-13(3)22(26)30-20-18-16(11-9-15-10-12-17(25)29-19(15)18)28-21(20)24(5,6)31-23(27)14(4)8-2/h8-13,20-21H,7H2,1-6H3/b14-8- OQNKRWQPITVLBZ-ZSOIEALJSA-N belongs to the class of organic compounds known as angular furanocoumarins. These are furanocoumarins, with a structure characterized by a furan ring angularly fused to a coumarin. Angular furanocoumarins Organic compounds Phenylpropanoids and polyketides Coumarins and derivatives Furanocoumarins Aromatic heteropolycyclic compounds 1-benzopyrans Alkyl aryl ethers Benzenoids Carbonyl compounds Coumarans Dicarboxylic acids and derivatives Enoate esters Fatty acid esters Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Oxacyclic compounds Pyranones and derivatives 1-benzopyran Alkyl aryl ether Alpha,beta-unsaturated carboxylic ester Angular furanocoumarin Aromatic heteropolycyclic compound Benzenoid Benzopyran Carbonyl group Carboxylic acid derivative Carboxylic acid ester Coumaran Dicarboxylic acid or derivatives Enoate ester Ether Fatty acid ester Fatty acyl Heteroaromatic compound Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyran Pyranone logp 4.86 ALOGPS logs -4.80 ALOGPS solubility 6.74e-03 g/l ALOGPS melting_point Mp 113.5-115° dec. logp 5.16 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac 2-{9-[(2-methylbutanoyl)oxy]-2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl}propan-2-yl (2Z)-2-methylbut-2-enoate ChemAxon average_mass 428.4749 ChemAxon mono_mass 428.18350325 ChemAxon smiles CCC(C)C(=O)OC1C(OC2=C1C1=C(C=C2)C=CC(=O)O1)C(C)(C)OC(=O)C(\C)=C/C ChemAxon formula C24H28O7 ChemAxon inchi InChI=1S/C24H28O7/c1-7-13(3)22(26)30-20-18-16(11-9-15-10-12-17(25)29-19(15)18)28-21(20)24(5,6)31-23(27)14(4)8-2/h8-13,20-21H,7H2,1-6H3/b14-8- ChemAxon inchikey OQNKRWQPITVLBZ-ZSOIEALJSA-N ChemAxon polar_surface_area 88.13 ChemAxon refractivity 114.33 ChemAxon polarizability 44.28 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 4 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10545 Specdb::CMs 137305 Specdb::CMs 145039 Specdb::MsMs 289234 Specdb::MsMs 289235 Specdb::MsMs 289236 Specdb::MsMs 328603 Specdb::MsMs 328604 Specdb::MsMs 328605 Specdb::MsMs 2338713 Specdb::MsMs 2338714 Specdb::MsMs 2338715 Specdb::MsMs 2623634 Specdb::MsMs 2623635 Specdb::MsMs 2623636 HMDB41198 #<Reference:0x000055ce3326b5e0> Green vegetables Unknown generic