1.0 2010-04-08 22:11:28 UTC 2019-11-26 03:10:45 UTC FDB014783 O-Methylganoderic acid O Constituent of cultured mycelium of Ganoderma lucidum (reishi). O-Methylganoderic acid O is found in mushrooms. 3a,15a,22S-Triacetoxy-7a-methoxylanosta-8,24E-dien-26-oic acid O-Methylganoderic acid O C37H56O9 644.8351 644.39243339 (2E)-5-(acetyloxy)-6-[5,12-bis(acetyloxy)-9-methoxy-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-[5,12-bis(acetyloxy)-9-methoxy-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 COC1CC2C(C)(C)C(CCC2(C)C2=C1C1(C)C(CC(C(C)C(C\C=C(/C)C(O)=O)OC(C)=O)C1(C)CC2)OC(C)=O)OC(C)=O InChI=1S/C37H56O9/c1-20(33(41)42)12-13-27(44-22(3)38)21(2)26-18-31(46-24(5)40)37(10)32-25(14-17-36(26,37)9)35(8)16-15-30(45-23(4)39)34(6,7)29(35)19-28(32)43-11/h12,21,26-31H,13-19H2,1-11H3,(H,41,42)/b20-12+ GXKWNYCHKLAQPO-UDWIEESQSA-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 Bile acids, alcohols and derivatives Carbonyl compounds Carboxylic acid esters Carboxylic acids Dialkyl ethers Hydrocarbon derivatives Organic oxides Steroid acids Steroid esters Tetracarboxylic acids and derivatives Aliphatic homopolycyclic compound Bile acid, alcohol, or derivatives Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Dialkyl ether Ether Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Steroid Steroid acid Steroid ester Tetracarboxylic acid or derivatives Triterpenoid logp 6.06 ALOGPS logs -6.10 ALOGPS solubility 5.10e-04 g/l ALOGPS melting_point Mp 228-229.5° logp 5.09 ChemAxon pka_strongest_acidic 4.42 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac (2E)-5-(acetyloxy)-6-[5,12-bis(acetyloxy)-9-methoxy-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 644.8351 ChemAxon mono_mass 644.39243339 ChemAxon smiles COC1CC2C(C)(C)C(CCC2(C)C2=C1C1(C)C(CC(C(C)C(C\C=C(/C)C(O)=O)OC(C)=O)C1(C)CC2)OC(C)=O)OC(C)=O ChemAxon formula C37H56O9 ChemAxon inchi InChI=1S/C37H56O9/c1-20(33(41)42)12-13-27(44-22(3)38)21(2)26-18-31(46-24(5)40)37(10)32-25(14-17-36(26,37)9)35(8)16-15-30(45-23(4)39)34(6,7)29(35)19-28(32)43-11/h12,21,26-31H,13-19H2,1-11H3,(H,41,42)/b20-12+ ChemAxon inchikey GXKWNYCHKLAQPO-UDWIEESQSA-N ChemAxon polar_surface_area 125.43 ChemAxon refractivity 173.09 ChemAxon polarizability 72.76 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 6 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20315 Specdb::CMs 634596 Specdb::CMs 634597 Specdb::CMs 793667 Specdb::MsMs 58776 Specdb::MsMs 58777 Specdb::MsMs 58778 Specdb::MsMs 114786 Specdb::MsMs 114787 Specdb::MsMs 114788 Specdb::MsMs 2294049 Specdb::MsMs 2294050 Specdb::MsMs 2294051 Specdb::MsMs 2641231 Specdb::MsMs 2641232 Specdb::MsMs 2641233 HMDB35978 #<Reference:0x000055ce322e0760> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322