1.0 2010-04-08 22:12:05 UTC 2019-11-26 03:12:19 UTC FDB015851 Gibberellin A22 Isolated from immature seeds of Canavalia gladiata (sword bean). Gibberellin A22 is found in pulses. Canavalia gibberellin II GA22 Gibberellin A22 Gibberellin A22 Methyl Ester C19H22O6 346.3744 346.141638436 (1R,2R,5S,8S,9S,10R,11R)-5-hydroxy-11-(hydroxymethyl)-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1^{5,8}.0^{1,10}.0^{2,8}]heptadec-12-ene-9-carboxylic acid (1R,2R,5S,8S,9S,10R,11R)-5-hydroxy-11-(hydroxymethyl)-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1^{5,8}.0^{1,10}.0^{2,8}]heptadec-12-ene-9-carboxylic acid 18450-94-7 [H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(O)=O)[C@]1([H])[C@]3(CO)C=CC[C@@]21OC3=O InChI=1S/C19H22O6/c1-10-7-17-8-18(10,24)6-3-11(17)19-5-2-4-16(9-20,15(23)25-19)13(19)12(17)14(21)22/h2,4,11-13,20,24H,1,3,5-9H2,(H,21,22)/t11-,12-,13-,16+,17+,18+,19-/m1/s1 UPCTWJNMQCQZPT-AODVQFRNSA-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 Primary 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 Primary alcohol Tertiary alcohol Tetrahydrofuran logp 0.31 ALOGPS logs -2.17 ALOGPS solubility 2.35e+00 g/l ALOGPS melting_point Mp 213-214° logp -0.011 ChemAxon pka_strongest_acidic 4.16 ChemAxon pka_strongest_basic -0.9 ChemAxon iupac (1R,2R,5S,8S,9S,10R,11R)-5-hydroxy-11-(hydroxymethyl)-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1^{5,8}.0^{1,10}.0^{2,8}]heptadec-12-ene-9-carboxylic acid ChemAxon average_mass 346.3744 ChemAxon mono_mass 346.141638436 ChemAxon smiles [H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(O)=O)[C@]1([H])[C@]3(CO)C=CC[C@@]21OC3=O ChemAxon formula C19H22O6 ChemAxon inchi InChI=1S/C19H22O6/c1-10-7-17-8-18(10,24)6-3-11(17)19-5-2-4-16(9-20,15(23)25-19)13(19)12(17)14(21)22/h2,4,11-13,20,24H,1,3,5-9H2,(H,21,22)/t11-,12-,13-,16+,17+,18+,19-/m1/s1 ChemAxon inchikey UPCTWJNMQCQZPT-AODVQFRNSA-N ChemAxon polar_surface_area 104.06 ChemAxon refractivity 86.98 ChemAxon polarizability 34.83 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 133021 Specdb::CMs 140755 Specdb::MsMs 2303448 Specdb::MsMs 2303449 Specdb::MsMs 2303450 Specdb::MsMs 3065702 Specdb::MsMs 3065703 Specdb::MsMs 3065704 Specdb::NmrOneD 137310 Specdb::NmrOneD 137311 Specdb::NmrOneD 137312 Specdb::NmrOneD 137313 Specdb::NmrOneD 137314 Specdb::NmrOneD 137315 Specdb::NmrOneD 137316 Specdb::NmrOneD 137317 Specdb::NmrOneD 137318 Specdb::NmrOneD 137319 Specdb::NmrOneD 137320 Specdb::NmrOneD 137321 Specdb::NmrOneD 137322 Specdb::NmrOneD 137323 Specdb::NmrOneD 137324 Specdb::NmrOneD 137325 Specdb::NmrOneD 137326 Specdb::NmrOneD 137327 Specdb::NmrOneD 137328 Specdb::NmrOneD 137329 HMDB36891 #<Reference:0x000055ce308208f8> Pulses Unknown generic