1.0 2010-04-08 22:11:12 UTC 2019-11-26 03:09:49 UTC FDB014310 Gibberellin A30 Gibberellin a30 is a member of the class of compounds known as c19-gibberellin 6-carboxylic acids. C19-gibberellin 6-carboxylic acids are c19-gibberellins with a carboxyl group at the 6-position. Gibberellin a30 is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Gibberellin a30 can be found in peach and sour cherry, which makes gibberellin a30 a potential biomarker for the consumption of these food products. GA30 Gibberellin A30 C19H22O6 346.3744 346.141638436 4,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1⁵,⁸.0¹,¹⁰.0²,⁸]heptadec-13-ene-9-carboxylic acid 4,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1⁵,⁸.0¹,¹⁰.0²,⁸]heptadec-13-ene-9-carboxylic acid 32450-00-3 CC12C3C(C(O)=O)C45CC(C(O)CC4C3(OC1=O)C=CC2O)C(=C)C5 InChI=1S/C19H22O6/c1-8-6-18-7-9(8)10(20)5-11(18)19-4-3-12(21)17(2,16(24)25-19)14(19)13(18)15(22)23/h3-4,9-14,20-21H,1,5-7H2,2H3,(H,22,23) XRIRDTGIFOWQDB-UHFFFAOYSA-N belongs to the class of organic compounds known as c19-gibberellin 6-carboxylic acids. These are c19-gibberellins with a carboxyl group at the 6-position. C19-gibberellin 6-carboxylic acids Organic compounds Lipids and lipid-like molecules Prenol lipids Diterpenoids Aliphatic heteropolycyclic compounds Carbonyl compounds Carboxylic acid esters Carboxylic acids Cyclic alcohols and derivatives Dicarboxylic acids and derivatives Diterpene lactones Gamma butyrolactones Hydrocarbon derivatives Organic oxides Oxacyclic compounds Secondary alcohols Tetrahydrofurans 20-norgibberellane-6-carboxylic acid Alcohol Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Dicarboxylic acid or derivatives Diterpene lactone Gamma butyrolactone Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Secondary alcohol Tetrahydrofuran logp 0.26 ALOGPS logs -1.95 ALOGPS solubility 3.92e+00 g/l ALOGPS melting_point Mp 188-191° logp 0.2 ChemAxon pka_strongest_acidic 4.16 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac 4,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1⁵,⁸.0¹,¹⁰.0²,⁸]heptadec-13-ene-9-carboxylic acid ChemAxon average_mass 346.3744 ChemAxon mono_mass 346.141638436 ChemAxon smiles CC12C3C(C(O)=O)C45CC(C(O)CC4C3(OC1=O)C=CC2O)C(=C)C5 ChemAxon formula C19H22O6 ChemAxon inchi InChI=1S/C19H22O6/c1-8-6-18-7-9(8)10(20)5-11(18)19-4-3-12(21)17(2,16(24)25-19)14(19)13(18)15(22)23/h3-4,9-14,20-21H,1,5-7H2,2H3,(H,22,23) ChemAxon inchikey XRIRDTGIFOWQDB-UHFFFAOYSA-N ChemAxon polar_surface_area 104.06 ChemAxon refractivity 86.48 ChemAxon polarizability 34.78 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 102231 Specdb::MsMs 102232 Specdb::MsMs 102233 Specdb::MsMs 168009 Specdb::MsMs 168010 Specdb::MsMs 168011 Specdb::MsMs 3605674 Specdb::MsMs 3605675 Specdb::MsMs 3605676 Specdb::MsMs 3605677 Specdb::MsMs 3605678 Specdb::MsMs 3605679 Peach Type 1 specific Prunus persica 3760 Sour cherry Type 1 specific Prunus cerasus 140311