1.0 2010-04-08 22:12:05 UTC 2019-11-26 03:12:20 UTC FDB015853 Gibberellin A75 Constituent of seeds of Helianthus annuus (sunflower). Gibberellin A75 is found in sunflower and fats and oils. GA75 Gibberellin A75 C19H24O8 380.3891 380.147117744 (1R,2R,5S,7S,8R,9S,10R,11S,12R,13S)-5,7,12,13-tetrahydroxy-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,11S,12R,13S)-5,7,12,13-tetrahydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1^{5,8}.0^{1,10}.0^{2,8}]heptadecane-9-carboxylic acid [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@@H](O)[C@@H](O)C[C@@]21OC3=O InChI=1S/C19H24O8/c1-7-12(21)18-6-17(7,26)4-3-9(18)19-5-8(20)13(22)16(2,15(25)27-19)11(19)10(18)14(23)24/h8-13,20-22,26H,1,3-6H2,2H3,(H,23,24)/t8-,9+,10+,11+,12+,13-,16-,17-,18+,19+/m0/s1 VCYXZJKAYAIMDV-ITKNPAOSSA-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 -0.65 ALOGPS logs -1.24 ALOGPS solubility 2.20e+01 g/l ALOGPS logp -1.8 ChemAxon pka_strongest_acidic 4.03 ChemAxon pka_strongest_basic -3.2 ChemAxon iupac (1R,2R,5S,7S,8R,9S,10R,11S,12R,13S)-5,7,12,13-tetrahydroxy-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 380.3891 ChemAxon mono_mass 380.147117744 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@@H](O)[C@@H](O)C[C@@]21OC3=O ChemAxon formula C19H24O8 ChemAxon inchi InChI=1S/C19H24O8/c1-7-12(21)18-6-17(7,26)4-3-9(18)19-5-8(20)13(22)16(2,15(25)27-19)11(19)10(18)14(23)24/h8-13,20-22,26H,1,3-6H2,2H3,(H,23,24)/t8-,9+,10+,11+,12+,13-,16-,17-,18+,19+/m0/s1 ChemAxon inchikey VCYXZJKAYAIMDV-ITKNPAOSSA-N ChemAxon polar_surface_area 144.52 ChemAxon refractivity 88.29 ChemAxon polarizability 36.94 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 132889 Specdb::CMs 140623 Specdb::MsMs 2473112 Specdb::MsMs 2473113 Specdb::MsMs 2473114 Specdb::MsMs 2488845 Specdb::MsMs 2488846 Specdb::MsMs 2488847 Specdb::NmrOneD 137350 Specdb::NmrOneD 137351 Specdb::NmrOneD 137352 Specdb::NmrOneD 137353 Specdb::NmrOneD 137354 Specdb::NmrOneD 137355 Specdb::NmrOneD 137356 Specdb::NmrOneD 137357 Specdb::NmrOneD 137358 Specdb::NmrOneD 137359 Specdb::NmrOneD 137360 Specdb::NmrOneD 137361 Specdb::NmrOneD 137362 Specdb::NmrOneD 137363 Specdb::NmrOneD 137364 Specdb::NmrOneD 137365 Specdb::NmrOneD 137366 Specdb::NmrOneD 137367 Specdb::NmrOneD 137368 Specdb::NmrOneD 137369 HMDB36893 #<Reference:0x000055ce307a7f98> Fats and oils Unknown generic Sunflower Type 1 specific Helianthus annuus 4232