1.0 2010-04-08 22:11:01 UTC 2019-11-26 03:09:22 UTC FDB013982 Ganoderic acid S Constituent of cultured mycelium of Ganoderma lucidum (reishi). Ganoderic acid S is found in mushrooms. C32H48O5 512.7205 512.350174646 (2E)-5-(acetyloxy)-6-{5-hydroxy-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-1(17),9-dien-14-yl}-2-methylhept-2-enoic acid (2E)-5-(acetyloxy)-6-{5-hydroxy-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-1(17),9-dien-14-yl}-2-methylhept-2-enoic acid CC(C(C\C=C(/C)C(O)=O)OC(C)=O)C1CCC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3=CCC12C InChI=1S/C32H48O5/c1-19(28(35)36)9-11-25(37-21(3)33)20(2)22-13-17-32(8)24-10-12-26-29(4,5)27(34)15-16-30(26,6)23(24)14-18-31(22,32)7/h9-10,14,20,22,25-27,34H,11-13,15-18H2,1-8H3,(H,35,36)/b19-9+ FRRMMEJOPQSLSE-DJKKODMXSA-N belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Triterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Triterpenoids Aliphatic homopolycyclic compounds 3-hydroxy delta-7-steroids Carbonyl compounds Carboxylic acid esters Carboxylic acids Cyclic alcohols and derivatives Delta-7-steroids Dicarboxylic acids and derivatives Hydrocarbon derivatives Hydroxy fatty acids Medium-chain fatty acids Monohydroxy bile acids, alcohols and derivatives Organic oxides Secondary alcohols Steroid acids Steroid esters Unsaturated fatty acids 3-hydroxy-delta-7-steroid 3-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Bile acid, alcohol, or derivatives Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Cholane-skeleton Cyclic alcohol Delta-7-steroid Dicarboxylic acid or derivatives Fatty acid Fatty acyl Hydrocarbon derivative Hydroxy bile acid, alcohol, or derivatives Hydroxy fatty acid Hydroxysteroid Medium-chain fatty acid Monohydroxy bile acid, alcohol, or derivatives Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Steroid Steroid acid Steroid ester Triterpenoid Unsaturated fatty acid logp 6.87 ALOGPS logs -5.59 ALOGPS solubility 1.32e-03 g/l ALOGPS melting_point Mp 194-196° logp 5.67 ChemAxon pka_strongest_acidic 4.6 ChemAxon pka_strongest_basic -0.78 ChemAxon iupac (2E)-5-(acetyloxy)-6-{5-hydroxy-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-1(17),9-dien-14-yl}-2-methylhept-2-enoic acid ChemAxon average_mass 512.7205 ChemAxon mono_mass 512.350174646 ChemAxon smiles CC(C(C\C=C(/C)C(O)=O)OC(C)=O)C1CCC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3=CCC12C ChemAxon formula C32H48O5 ChemAxon inchi InChI=1S/C32H48O5/c1-19(28(35)36)9-11-25(37-21(3)33)20(2)22-13-17-32(8)24-10-12-26-29(4,5)27(34)15-16-30(26,6)23(24)14-18-31(22,32)7/h9-10,14,20,22,25-27,34H,11-13,15-18H2,1-8H3,(H,35,36)/b19-9+ ChemAxon inchikey FRRMMEJOPQSLSE-DJKKODMXSA-N ChemAxon polar_surface_area 83.83 ChemAxon refractivity 148.12 ChemAxon polarizability 59.89 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19614 Specdb::CMs 44319 Specdb::MsMs 71352 Specdb::MsMs 71353 Specdb::MsMs 71354 Specdb::MsMs 130002 Specdb::MsMs 130003 Specdb::MsMs 130004 Specdb::MsMs 2682438 Specdb::MsMs 2682439 Specdb::MsMs 2682440 Specdb::MsMs 3022491 Specdb::MsMs 3022492 Specdb::MsMs 3022493 HMDB35313 Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322