1.0 2010-04-08 22:10:50 UTC 2019-11-26 03:08:49 UTC FDB013658 Gibberellin A63 From Pyrus communis (pear). Gibberellin A63 is found in many foods, some of which are peach, pomes, apple, and pear. GA63 Gibberellin A63 C19H24O6 348.3903 348.1572885 7,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1⁵,⁸.0¹,¹⁰.0²,⁸]heptadecane-9-carboxylic acid 7,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1⁵,⁸.0¹,¹⁰.0²,⁸]heptadecane-9-carboxylic acid 63351-80-4 CC12C3C(C(O)=O)C45CC(CCC4C3(CCC1O)OC2=O)C(=C)C5O InChI=1S/C19H24O6/c1-8-9-3-4-10-18(7-9,14(8)21)12(15(22)23)13-17(2)11(20)5-6-19(10,13)25-16(17)24/h9-14,20-21H,1,3-7H2,2H3,(H,22,23) RLZBXKKKLIYURW-UHFFFAOYSA-N belongs to the class of organic compounds known as annonaceous acetogenins. These are waxy derivatives of fatty acids (usually C32 or C34), containing a terminal carboxylic acid combined with a 2-propanol unit at the C-2 position to form a methyl- substituted alpha,beta-unsaturated-gamma-lactone. One of their interesting structural features is a single, adjacent, or nonadjacent tetrahydrofuran (THF) or tetrahydropyran (THP) system with one or two flanking hydroxyl group(s) at the center of a long hydrocarbon chain. Annonaceous acetogenins Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty alcohols Aliphatic heteromonocyclic compounds Butenolides Carbonyl compounds Dialkyl ethers Enoate esters Hydrocarbon derivatives Lactones Long-chain fatty alcohols Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Polyols Secondary alcohols Tetrahydrofurans 2-furanone Alcohol Aliphatic heteromonocyclic compound Alpha,beta-unsaturated carboxylic ester Annonaceae acetogenin skeleton Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dialkyl ether Dihydrofuran Enoate ester Ether Hydrocarbon derivative Lactone Long chain fatty alcohol Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Polyol Secondary alcohol Tetrahydrofuran logp 0.55 ALOGPS logs -1.86 ALOGPS solubility 4.85e+00 g/l ALOGPS logp 0.49 ChemAxon pka_strongest_acidic 4.19 ChemAxon pka_strongest_basic -3 ChemAxon iupac 7,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1⁵,⁸.0¹,¹⁰.0²,⁸]heptadecane-9-carboxylic acid ChemAxon average_mass 348.3903 ChemAxon mono_mass 348.1572885 ChemAxon smiles CC12C3C(C(O)=O)C45CC(CCC4C3(CCC1O)OC2=O)C(=C)C5O ChemAxon formula C19H24O6 ChemAxon inchi InChI=1S/C19H24O6/c1-8-9-3-4-10-18(7-9,14(8)21)12(15(22)23)13-17(2)11(20)5-6-19(10,13)25-16(17)24/h9-14,20-21H,1,3-7H2,2H3,(H,22,23) ChemAxon inchikey RLZBXKKKLIYURW-UHFFFAOYSA-N ChemAxon polar_surface_area 104.06 ChemAxon refractivity 85.44 ChemAxon polarizability 35.39 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13059 Specdb::CMs 44154 Specdb::MsMs 62667 Specdb::MsMs 62668 Specdb::MsMs 62669 Specdb::MsMs 119442 Specdb::MsMs 119443 Specdb::MsMs 119444 HMDB35044 #<Reference:0x000055ce33018428> Apple Type 1 specific Malus pumila 283210 Peach Type 1 specific Prunus persica 3760 Pear Type 1 specific Pyrus communis 23211 Pomes Unknown generic