1.0 2010-04-08 22:11:16 UTC 2019-11-26 03:10:04 UTC FDB014452 Ganoderic acid Mc Metabolite of Ganoderma lucidum (reishi). Ganoderic acid Mc is found in mushrooms. 3a,7a,22-Triacetoxy-15a-hydroxylanosta-8,24E-dien-26-oic acid Ganoderic acid Mc C36H54O9 630.8086 630.376783326 (2E)-5-(acetyloxy)-6-[5,9-bis(acetyloxy)-12-hydroxy-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl]-2-methylhept-2-enoic acid (2E)-5-(acetyloxy)-6-[5,9-bis(acetyloxy)-12-hydroxy-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl]-2-methylhept-2-enoic acid 111-40-0 CC(C(C\C=C(/C)C(O)=O)OC(C)=O)C1CC(O)C2(C)C3=C(CCC12C)C1(C)CCC(OC(C)=O)C(C)(C)C1CC3OC(C)=O InChI=1S/C36H54O9/c1-19(32(41)42)11-12-26(43-21(3)37)20(2)25-17-29(40)36(10)31-24(13-16-35(25,36)9)34(8)15-14-30(45-23(5)39)33(6,7)28(34)18-27(31)44-22(4)38/h11,20,25-30,40H,12-18H2,1-10H3,(H,41,42)/b19-11+ GHQBLEWBYHWXAC-YBFXNURJSA-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 Carbonyl compounds Carboxylic acid esters Carboxylic acids Cyclic alcohols and derivatives Hydrocarbon derivatives Hydroxysteroids Monohydroxy bile acids, alcohols and derivatives Organic oxides Secondary alcohols Steroid acids Steroid esters Tetracarboxylic acids and derivatives 15-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Bile acid, alcohol, or derivatives Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Hydrocarbon derivative Hydroxy bile acid, alcohol, or derivatives Hydroxysteroid Monohydroxy bile acid, alcohol, or derivatives Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Steroid Steroid acid Steroid ester Tetracarboxylic acid or derivatives Triterpenoid logp 5.37 ALOGPS logs -5.76 ALOGPS solubility 1.10e-03 g/l ALOGPS logp 4.45 ChemAxon pka_strongest_acidic 4.42 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2E)-5-(acetyloxy)-6-[5,9-bis(acetyloxy)-12-hydroxy-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl]-2-methylhept-2-enoic acid ChemAxon average_mass 630.8086 ChemAxon mono_mass 630.376783326 ChemAxon smiles CC(C(C\C=C(/C)C(O)=O)OC(C)=O)C1CC(O)C2(C)C3=C(CCC12C)C1(C)CCC(OC(C)=O)C(C)(C)C1CC3OC(C)=O ChemAxon formula C36H54O9 ChemAxon inchi InChI=1S/C36H54O9/c1-19(32(41)42)11-12-26(43-21(3)37)20(2)25-17-29(40)36(10)31-24(13-16-35(25,36)9)34(8)15-14-30(45-23(5)39)33(6,7)28(34)18-27(31)44-22(4)38/h11,20,25-30,40H,12-18H2,1-10H3,(H,41,42)/b19-11+ ChemAxon inchikey GHQBLEWBYHWXAC-YBFXNURJSA-N ChemAxon polar_surface_area 136.43 ChemAxon refractivity 168.34 ChemAxon polarizability 71.5 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 65028 Specdb::MsMs 65029 Specdb::MsMs 65030 Specdb::MsMs 122343 Specdb::MsMs 122344 Specdb::MsMs 122345 Specdb::MsMs 2735177 Specdb::MsMs 2735178 Specdb::MsMs 2735179 Specdb::MsMs 2974617 Specdb::MsMs 2974618 Specdb::MsMs 2974619 Specdb::CMs 26008 Specdb::CMs 584454 Specdb::CMs 584455 Specdb::CMs 584456 Specdb::CMs 584457 Specdb::CMs 584458 Specdb::CMs 584459 Specdb::CMs 793189 HMDB35725 #<Reference:0x000055ce303a80f0> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322