1.0 2010-04-08 22:13:13 UTC 2019-11-26 03:15:00 UTC FDB017646 Gibberellin A118 Constituent of immature Prunus persica (peach) seeds. Gibberellin A118 is found in fruits and peach. GA118 Gibberellin A118 C19H24O6 348.3903 348.1572885 (1R,2R,5S,8S,9S,10R,11S,14S)-5,14-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1⁵,⁸.0¹,¹⁰.0²,⁸]heptadecane-9-carboxylic acid (1R,2R,5S,8S,9S,10R,11S,14S)-5,14-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1⁵,⁸.0¹,¹⁰.0²,⁸]heptadecane-9-carboxylic acid 81826-97-3 [H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(O)=O)[C@]1([H])[C@]3(C)CC[C@H](O)[C@@]21OC3=O InChI=1S/C19H24O6/c1-9-7-17-8-18(9,24)6-3-10(17)19-11(20)4-5-16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16-,17+,18+,19+/m1/s1 XPVLCCOOMVYREG-VBFWKCISSA-N belongs to the class of organic compounds known as hydroxy-7-aporphines. These are aporphines containing a hydroxyl group at the 7-position. Hydroxy-7-aporphines Organic compounds Alkaloids and derivatives Aporphines Hydroxy-7-aporphines Aromatic heteropolycyclic compounds 1,2-aminoalcohols Acetals Aralkylamines Azacyclic compounds Benzodioxoles Benzoquinolines Dialkylamines Hydrocarbon derivatives Naphthalenes Organopnictogen compounds Oxacyclic compounds Phenanthrenes and derivatives Secondary alcohols Tetrahydroisoquinolines 1,2-aminoalcohol Acetal Alcohol Amine Aralkylamine Aromatic heteropolycyclic compound Azacycle Benzenoid Benzodioxole Benzoquinoline Hydrocarbon derivative Hydroxy-7-aporphine Naphthalene Organic nitrogen compound Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Phenanthrene Quinoline Secondary alcohol Secondary aliphatic amine Secondary amine Tetrahydroisoquinoline logp 0.21 ALOGPS logs -1.89 ALOGPS solubility 4.44e+00 g/l ALOGPS logp 0.56 ChemAxon pka_strongest_acidic 4.2 ChemAxon pka_strongest_basic -0.9 ChemAxon iupac (1R,2R,5S,8S,9S,10R,11S,14S)-5,14-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 [H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(O)=O)[C@]1([H])[C@]3(C)CC[C@H](O)[C@@]21OC3=O ChemAxon formula C19H24O6 ChemAxon inchi InChI=1S/C19H24O6/c1-9-7-17-8-18(9,24)6-3-10(17)19-11(20)4-5-16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16-,17+,18+,19+/m1/s1 ChemAxon inchikey XPVLCCOOMVYREG-VBFWKCISSA-N ChemAxon polar_surface_area 104.06 ChemAxon refractivity 85.45 ChemAxon polarizability 47.41 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22042 Specdb::CMs 44126 Specdb::MsMs 314929 Specdb::MsMs 314930 Specdb::MsMs 314931 Specdb::MsMs 360781 Specdb::MsMs 360782 Specdb::MsMs 360783 HMDB34988 #<Reference:0x000055ce2c583108> Fruits Unknown generic Peach Type 1 specific Prunus persica 3760