1.0 2010-04-08 22:13:19 UTC 2019-11-26 03:15:16 UTC FDB017809 Gibberellin A86 Constituent of Prunus persica (peaches). Gibberellin A86 is found in many foods, some of which are peach, sweet cherry, sour cherry, and fruits. GA86 Gibberellin A86 C19H24O8 380.3891 380.147117744 4,5,7,12-tetrahydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1⁵,⁸.0¹,¹⁰.0²,⁸]heptadecane-9-carboxylic acid 4,5,7,12-tetrahydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1⁵,⁸.0¹,¹⁰.0²,⁸]heptadecane-9-carboxylic acid 138703-93-2 CC12C3C(C(O)=O)C45CC(O)(C(O)CC4C3(CCC1O)OC2=O)C(=C)C5O InChI=1S/C19H24O8/c1-7-13(22)17-6-18(7,26)10(21)5-8(17)19-4-3-9(20)16(2,15(25)27-19)12(19)11(17)14(23)24/h8-13,20-22,26H,1,3-6H2,2H3,(H,23,24) JMGSTZUVIHCAAA-UHFFFAOYSA-N belongs to the class of organic compounds known as thiocyanates. These are salts or esters of thiocyanic acid, with the general formula RSC#N (R=alkyl, aryl). Thiocyanates Organic compounds Organosulfur compounds Thiocyanates Aliphatic acyclic compounds Dialkylthioethers Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Sulfenyl compounds Aliphatic acyclic compound Dialkylthioether Hydrocarbon derivative Organic nitrogen compound Organonitrogen compound Organopnictogen compound Sulfenyl compound Thiocyanate Thioether logp -0.63 ALOGPS logs -1.24 ALOGPS solubility 2.17e+01 g/l ALOGPS logp -1.7 ChemAxon pka_strongest_acidic 4.03 ChemAxon pka_strongest_basic -3 ChemAxon iupac 4,5,7,12-tetrahydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1⁵,⁸.0¹,¹⁰.0²,⁸]heptadecane-9-carboxylic acid ChemAxon average_mass 380.3891 ChemAxon mono_mass 380.147117744 ChemAxon smiles CC12C3C(C(O)=O)C45CC(O)(C(O)CC4C3(CCC1O)OC2=O)C(=C)C5O ChemAxon formula C19H24O8 ChemAxon inchi InChI=1S/C19H24O8/c1-7-13(22)17-6-18(7,26)10(21)5-8(17)19-4-3-9(20)16(2,15(25)27-19)12(19)11(17)14(23)24/h8-13,20-22,26H,1,3-6H2,2H3,(H,23,24) ChemAxon inchikey JMGSTZUVIHCAAA-UHFFFAOYSA-N ChemAxon polar_surface_area 144.52 ChemAxon refractivity 88.33 ChemAxon polarizability 36.91 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 7742 Specdb::MsMs 7743 Specdb::MsMs 7744 Specdb::MsMs 14414 Specdb::MsMs 14415 Specdb::MsMs 14416 Specdb::CMs 11772 Specdb::CMs 45830 HMDB38450 #<Reference:0x000055ce302b6fe8> Fruits Unknown generic Peach Type 1 specific Prunus persica 3760 Sour cherry Type 1 specific Prunus cerasus 140311 Sweet cherry Type 1 specific Prunus avium 42229