1.0 2010-04-08 22:11:24 UTC 2019-11-26 03:10:36 UTC FDB014680 20-Hydroxy-3,7,11,15,23-pentaoxolanost-8-en-26-oic acid Constituent of Ganoderma lucidum (reishi). 20-Hydroxy-3,7,11,15,23-pentaoxolanost-8-en-26-oic acid is found in mushrooms. 20-Hydroxy-3,7,11,15,23-pentaoxo-5alpha-lanost-8-en-26-oic acid 20-Hydroxy-3,7,11,15,23-pentaoxolanost-8-en-26-oic acid Ganoderic acid O?? C30H40O8 528.6338 528.272318256 6-hydroxy-2-methyl-4-oxo-6-{2,6,6,11,15-pentamethyl-5,9,12,17-tetraoxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl}heptanoic acid 6-hydroxy-2-methyl-4-oxo-6-{2,6,6,11,15-pentamethyl-5,9,12,17-tetraoxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl}heptanoic acid 110241-21-9 CC(CC(=O)CC(C)(O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O)C(O)=O InChI=1S/C30H40O8/c1-15(25(36)37)10-16(31)13-29(6,38)20-12-22(35)30(7)24-17(32)11-19-26(2,3)21(34)8-9-27(19,4)23(24)18(33)14-28(20,30)5/h15,19-20,38H,8-14H2,1-7H3,(H,36,37) QXAZRJVLUHRKJT-UHFFFAOYSA-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 11-oxosteroids 3-oxosteroids 7-oxosteroids Beta-hydroxy ketones Carboxylic acids Cyclohexenones Gamma-keto acids and derivatives Hydrocarbon derivatives Hydroxysteroids Medium-chain keto acids and derivatives Monocarboxylic acids and derivatives Monohydroxy bile acids, alcohols and derivatives Organic oxides Steroid acids Tertiary alcohols 11-oxosteroid 15-oxosteroid 20-hydroxysteroid 23-oxosteroid 3-oxosteroid 7-oxosteroid Alcohol Aliphatic homopolycyclic compound Beta-hydroxy ketone Bile acid, alcohol, or derivatives Carbonyl group Carboxylic acid Carboxylic acid derivative Cyclic ketone Cyclohexenone Gamma-keto acid Hydrocarbon derivative Hydroxy bile acid, alcohol, or derivatives Hydroxysteroid Keto acid Ketone Medium-chain keto acid Monocarboxylic acid or derivatives Monohydroxy bile acid, alcohol, or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxosteroid Steroid Steroid acid Tertiary alcohol Triterpenoid logp 3.27 ALOGPS logs -4.49 ALOGPS solubility 1.70e-02 g/l ALOGPS melting_point Mp 168-171° (Me ester) logp 3.27 ChemAxon pka_strongest_acidic 4.21 ChemAxon pka_strongest_basic -3 ChemAxon iupac 6-hydroxy-2-methyl-4-oxo-6-{2,6,6,11,15-pentamethyl-5,9,12,17-tetraoxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl}heptanoic acid ChemAxon average_mass 528.6338 ChemAxon mono_mass 528.272318256 ChemAxon smiles CC(CC(=O)CC(C)(O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O)C(O)=O ChemAxon formula C30H40O8 ChemAxon inchi InChI=1S/C30H40O8/c1-15(25(36)37)10-16(31)13-29(6,38)20-12-22(35)30(7)24-17(32)11-19-26(2,3)21(34)8-9-27(19,4)23(24)18(33)14-28(20,30)5/h15,19-20,38H,8-14H2,1-7H3,(H,36,37) ChemAxon inchikey QXAZRJVLUHRKJT-UHFFFAOYSA-N ChemAxon polar_surface_area 142.88 ChemAxon refractivity 138.81 ChemAxon polarizability 55.46 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 8 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15746 Specdb::CMs 44630 Specdb::CMs 187627 Specdb::CMs 187628 Specdb::CMs 187629 Specdb::CMs 187630 Specdb::CMs 187631 Specdb::CMs 187632 Specdb::CMs 187633 Specdb::CMs 187634 Specdb::CMs 187635 Specdb::CMs 187636 Specdb::CMs 187637 Specdb::CMs 187638 Specdb::CMs 187639 Specdb::CMs 187640 Specdb::CMs 187641 Specdb::CMs 187642 Specdb::CMs 187643 Specdb::CMs 187644 Specdb::CMs 187645 Specdb::CMs 187646 Specdb::CMs 187647 Specdb::CMs 187648 Specdb::CMs 187649 Specdb::MsMs 108393 Specdb::MsMs 108394 Specdb::MsMs 108395 Specdb::MsMs 175605 Specdb::MsMs 175606 Specdb::MsMs 175607 Specdb::MsMs 2788369 Specdb::MsMs 2788370 Specdb::MsMs 2788371 Specdb::MsMs 2920052 Specdb::MsMs 2920053 Specdb::MsMs 2920054 HMDB35895 #<Reference:0x000055ce322fae80> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322