1.0 2010-04-08 22:12:05 UTC 2019-11-26 03:12:21 UTC FDB015860 Gibberellin A76 Constituent of sunflower seeds Helianthus annuus. Gibberellin A76 is found in sunflower. 15b-Hydroxygibberellin A29 GA76 Gibberellin A76 C19H24O7 364.3897 364.152203122 (1R,2R,5S,7S,8R,9S,10R,11R,13R)-5,7,13-trihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1^{5,8}.0^{1,10}.0^{2,8}]heptadecane-9-carboxylic acid (1R,2R,5S,7S,8R,9S,10R,11R,13R)-5,7,13-trihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1^{5,8}.0^{1,10}.0^{2,8}]heptadecane-9-carboxylic acid 128712-78-7 [H][C@@]12CC[C@]3(O)C[C@]1([C@H](O)C3=C)[C@@H](C(O)=O)[C@]1([H])[C@]3(C)C[C@@H](O)C[C@@]21OC3=O InChI=1S/C19H24O7/c1-8-13(21)18-7-17(8,25)4-3-10(18)19-6-9(20)5-16(2,15(24)26-19)12(19)11(18)14(22)23/h9-13,20-21,25H,1,3-7H2,2H3,(H,22,23)/t9-,10-,11-,12-,13-,16-,17+,18-,19-/m1/s1 MVTFVUOAPQNRRR-JDRGUZRQSA-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 2-hydroxy,20-norgibberellanes 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 Oxepanes Polyols Secondary alcohols Tertiary alcohols Tetrahydrofurans 2-hydroxy,20-norgibberellane 20-norgibberellane-6-carboxylic acid Alcohol Aliphatic heteropolycyclic compound Caprolactone 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 Oxepane Polyol Secondary alcohol Tertiary alcohol Tetrahydrofuran logp -0.51 ALOGPS logs -1.53 ALOGPS solubility 1.09e+01 g/l ALOGPS logp -0.9 ChemAxon pka_strongest_acidic 4.11 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac (1R,2R,5S,7S,8R,9S,10R,11R,13R)-5,7,13-trihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1^{5,8}.0^{1,10}.0^{2,8}]heptadecane-9-carboxylic acid ChemAxon average_mass 364.3897 ChemAxon mono_mass 364.152203122 ChemAxon smiles [H][C@@]12CC[C@]3(O)C[C@]1([C@H](O)C3=C)[C@@H](C(O)=O)[C@]1([H])[C@]3(C)C[C@@H](O)C[C@@]21OC3=O ChemAxon formula C19H24O7 ChemAxon inchi InChI=1S/C19H24O7/c1-8-13(21)18-7-17(8,25)4-3-10(18)19-6-9(20)5-16(2,15(24)26-19)12(19)11(18)14(22)23/h9-13,20-21,25H,1,3-7H2,2H3,(H,22,23)/t9-,10-,11-,12-,13-,16-,17+,18-,19-/m1/s1 ChemAxon inchikey MVTFVUOAPQNRRR-JDRGUZRQSA-N ChemAxon polar_surface_area 124.29 ChemAxon refractivity 87.08 ChemAxon polarizability 36.27 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 137535 Specdb::CMs 145269 Specdb::MsMs 2669875 Specdb::MsMs 2669876 Specdb::MsMs 2669877 Specdb::MsMs 3009409 Specdb::MsMs 3009410 Specdb::MsMs 3009411 Specdb::NmrOneD 137370 Specdb::NmrOneD 137371 Specdb::NmrOneD 137372 Specdb::NmrOneD 137373 Specdb::NmrOneD 137374 Specdb::NmrOneD 137375 Specdb::NmrOneD 137376 Specdb::NmrOneD 137377 Specdb::NmrOneD 137378 Specdb::NmrOneD 137379 Specdb::NmrOneD 137380 Specdb::NmrOneD 137381 Specdb::NmrOneD 137382 Specdb::NmrOneD 137383 Specdb::NmrOneD 137384 Specdb::NmrOneD 137385 Specdb::NmrOneD 137386 Specdb::NmrOneD 137387 Specdb::NmrOneD 137388 Specdb::NmrOneD 137389 HMDB36898 #<Reference:0x000055ce30623e10> Sunflower Type 1 specific Helianthus annuus 4232