1.0 2010-04-08 22:11:03 UTC 2019-11-26 03:09:28 UTC FDB014062 (24E)-15alpha-Acetoxy-3alpha-hydroxy-23-oxo-7,9(11),24-lanostatrien-26-oic acid Constituent of Ganoderma lucidum (reishi). (24E)-15alpha-Acetoxy-3alpha-hydroxy-23-oxo-7,9(11),24-lanostatrien-26-oic acid is found in mushrooms. 15a-Acetoxy-3a-hydroxy-23-oxo-7,9(11),24E-lanostatrien-26-oic acid C32H46O6 526.704 526.329439204 (2Z)-6-[12-(acetyloxy)-5-hydroxy-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-1(17),9-dien-14-yl]-2-methyl-4-oxohept-2-enoic acid (2Z)-6-[12-(acetyloxy)-5-hydroxy-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-1(17),9-dien-14-yl]-2-methyl-4-oxohept-2-enoic acid 117383-35-4 CC(CC(=O)\C=C(\C)C(O)=O)C1CC(OC(C)=O)C2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3=CCC12C InChI=1S/C32H46O6/c1-18(15-21(34)16-19(2)28(36)37)24-17-27(38-20(3)33)32(8)23-9-10-25-29(4,5)26(35)12-13-30(25,6)22(23)11-14-31(24,32)7/h9,11,16,18,24-27,35H,10,12-15,17H2,1-8H3,(H,36,37)/b19-16- LFZXDPZHYHAKCQ-MNDPQUGUSA-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 Acryloyl compounds Carboxylic acid esters Carboxylic acids Cyclic alcohols and derivatives Delta-7-steroids Dicarboxylic acids and derivatives Enones Hydrocarbon derivatives Hydroxy fatty acids Ketones Medium-chain keto acids and derivatives Monohydroxy bile acids, alcohols and derivatives Organic oxides Oxosteroids Secondary alcohols Steroid acids Steroid esters Unsaturated fatty acids 23-oxosteroid 3-hydroxy-delta-7-steroid 3-hydroxysteroid Acryloyl-group Alcohol Aliphatic homopolycyclic compound Alpha,beta-unsaturated ketone 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 Enone Fatty acyl Hydrocarbon derivative Hydroxy bile acid, alcohol, or derivatives Hydroxy fatty acid Hydroxysteroid Ketone Medium-chain keto acid Monohydroxy bile acid, alcohol, or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxosteroid Secondary alcohol Steroid Steroid acid Steroid ester Triterpenoid Unsaturated fatty acid logp 6.23 ALOGPS logs -5.53 ALOGPS solubility 1.57e-03 g/l ALOGPS logp 4.93 ChemAxon pka_strongest_acidic 3.31 ChemAxon pka_strongest_basic -0.78 ChemAxon iupac (2Z)-6-[12-(acetyloxy)-5-hydroxy-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-1(17),9-dien-14-yl]-2-methyl-4-oxohept-2-enoic acid ChemAxon average_mass 526.704 ChemAxon mono_mass 526.329439204 ChemAxon smiles CC(CC(=O)\C=C(\C)C(O)=O)C1CC(OC(C)=O)C2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3=CCC12C ChemAxon formula C32H46O6 ChemAxon inchi InChI=1S/C32H46O6/c1-18(15-21(34)16-19(2)28(36)37)24-17-27(38-20(3)33)32(8)23-9-10-25-29(4,5)26(35)12-13-30(25,6)22(23)11-14-31(24,32)7/h9,11,16,18,24-27,35H,10,12-15,17H2,1-8H3,(H,36,37)/b19-16- ChemAxon inchikey LFZXDPZHYHAKCQ-MNDPQUGUSA-N ChemAxon polar_surface_area 100.9 ChemAxon refractivity 148.66 ChemAxon polarizability 59.36 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16744 Specdb::CMs 44368 Specdb::MsMs 46479 Specdb::MsMs 46480 Specdb::MsMs 46481 Specdb::MsMs 147438 Specdb::MsMs 147439 Specdb::MsMs 147440 Specdb::MsMs 2304237 Specdb::MsMs 2304238 Specdb::MsMs 2304239 Specdb::MsMs 2658433 Specdb::MsMs 2658434 Specdb::MsMs 2658435 HMDB35387 #<Reference:0x000055ce32391a88> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322