1.0 2010-04-08 22:13:55 UTC 2019-11-26 03:16:40 UTC FDB018776 Gibberellin A87 Constituent of Prunus avium (wild cherry). Gibberellin A87 is found in many foods, some of which are sour cherry, peach, sweet cherry, and fruits. GA87 Gibberellin A87 C19H22O7 362.3738 362.136553058 (1R,2R,4S,5S,8S,9S,10R,11S,12S)-4,5,12-trihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1^{5,8}.0^{1,10}.0^{2,8}]heptadec-13-ene-9-carboxylic acid (1R,2R,4S,5S,8S,9S,10R,11S,12S)-4,5,12-trihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1^{5,8}.0^{1,10}.0^{2,8}]heptadec-13-ene-9-carboxylic acid [H][C@@]12C[C@H](O)[C@]3(O)C[C@]1(CC3=C)[C@@H](C(O)=O)[C@]1([H])[C@]3(C)[C@@H](O)C=C[C@@]21OC3=O InChI=1S/C19H22O7/c1-8-6-17-7-18(8,25)11(21)5-9(17)19-4-3-10(20)16(2,15(24)26-19)13(19)12(17)14(22)23/h3-4,9-13,20-21,25H,1,5-7H2,2H3,(H,22,23)/t9-,10+,11+,12-,13-,16-,17+,18+,19-/m1/s1 DBCALXGMWSCZIP-BPDLVRBNSA-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 Polyols Secondary alcohols Tertiary 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 Polyol Secondary alcohol Tertiary alcohol Tetrahydrofuran logp -0.36 ALOGPS logs -1.69 ALOGPS solubility 7.48e+00 g/l ALOGPS logp -0.72 ChemAxon pka_strongest_acidic 4.08 ChemAxon pka_strongest_basic -3.2 ChemAxon iupac (1R,2R,4S,5S,8S,9S,10R,11S,12S)-4,5,12-trihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1^{5,8}.0^{1,10}.0^{2,8}]heptadec-13-ene-9-carboxylic acid ChemAxon average_mass 362.3738 ChemAxon mono_mass 362.136553058 ChemAxon smiles [H][C@@]12C[C@H](O)[C@]3(O)C[C@]1(CC3=C)[C@@H](C(O)=O)[C@]1([H])[C@]3(C)[C@@H](O)C=C[C@@]21OC3=O ChemAxon formula C19H22O7 ChemAxon inchi InChI=1S/C19H22O7/c1-8-6-17-7-18(8,25)11(21)5-9(17)19-4-3-10(20)16(2,15(24)26-19)13(19)12(17)14(22)23/h3-4,9-13,20-21,25H,1,5-7H2,2H3,(H,22,23)/t9-,10+,11+,12-,13-,16-,17+,18+,19-/m1/s1 ChemAxon inchikey DBCALXGMWSCZIP-BPDLVRBNSA-N ChemAxon polar_surface_area 124.29 ChemAxon refractivity 87.78 ChemAxon polarizability 35.72 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 162616 Specdb::MsMs 2753722 Specdb::MsMs 2753723 Specdb::MsMs 2753724 Specdb::MsMs 2952531 Specdb::MsMs 2952532 Specdb::MsMs 2952533 Specdb::NmrOneD 31822 Specdb::NmrOneD 31823 Specdb::NmrOneD 31824 Specdb::NmrOneD 31825 Specdb::NmrOneD 31826 Specdb::NmrOneD 31827 Specdb::NmrOneD 31828 Specdb::NmrOneD 31829 Specdb::NmrOneD 31830 Specdb::NmrOneD 31831 Specdb::NmrOneD 31832 Specdb::NmrOneD 31833 Specdb::NmrOneD 31834 Specdb::NmrOneD 31835 Specdb::NmrOneD 31836 Specdb::NmrOneD 31837 Specdb::NmrOneD 31838 Specdb::NmrOneD 31839 Specdb::NmrOneD 31840 Specdb::NmrOneD 31841 HMDB39239 #<Reference:0x000055ce30679018> 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