1.0 2010-04-08 22:11:47 UTC 2019-11-26 03:11:27 UTC FDB015326 Fasciculic acid A From the toxic sulphur tuft mushroom Naematoloma fasciculare. Fasciculic acid A is found in mushrooms. (+)-Fasciculic acid A 2-O-(3-Hydroxy-3-methylglutaryl)fasciculol A Fasciculic acid A C36H60O8 620.8568 620.428818896 5-{[14-(5,6-dihydroxy-6-methylheptan-2-yl)-5-hydroxy-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-4-yl]oxy}-3-hydroxy-3-methyl-5-oxopentanoic acid 5-{[14-(5,6-dihydroxy-6-methylheptan-2-yl)-5-hydroxy-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-4-yl]oxy}-3-hydroxy-3-methyl-5-oxopentanoic acid 126906-00-1 CC(CCC(O)C(C)(C)O)C1CCC2(C)C3=C(CCC12C)C1(C)CC(OC(=O)CC(C)(O)CC(O)=O)C(O)C(C)(C)C1CC3 InChI=1S/C36H60O8/c1-21(10-13-27(37)32(4,5)42)22-14-16-36(9)24-11-12-26-31(2,3)30(41)25(44-29(40)20-33(6,43)19-28(38)39)18-34(26,7)23(24)15-17-35(22,36)8/h21-22,25-27,30,37,41-43H,10-20H2,1-9H3,(H,38,39) VOAJMYUEWCGJID-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 3-hydroxysteroids Carbonyl compounds Carboxylic acid esters Carboxylic acids Cyclic alcohols and derivatives Dicarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Secondary alcohols Steroid esters Tertiary alcohols Trihydroxy bile acids, alcohols and derivatives 24-hydroxysteroid 25-hydroxysteroid 3-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Bile acid, alcohol, or derivatives Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Dicarboxylic acid or derivatives Hydrocarbon derivative Hydroxy bile acid, alcohol, or derivatives Hydroxysteroid Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Steroid Steroid ester Tertiary alcohol Trihydroxy bile acid, alcohol, or derivatives Triterpenoid logp 4.88 ALOGPS logs -5.52 ALOGPS solubility 1.88e-03 g/l ALOGPS melting_point Mp 177-179° logp 4.41 ChemAxon pka_strongest_acidic 3.8 ChemAxon pka_strongest_basic -3 ChemAxon iupac 5-{[14-(5,6-dihydroxy-6-methylheptan-2-yl)-5-hydroxy-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-4-yl]oxy}-3-hydroxy-3-methyl-5-oxopentanoic acid ChemAxon average_mass 620.8568 ChemAxon mono_mass 620.428818896 ChemAxon smiles CC(CCC(O)C(C)(C)O)C1CCC2(C)C3=C(CCC12C)C1(C)CC(OC(=O)CC(C)(O)CC(O)=O)C(O)C(C)(C)C1CC3 ChemAxon formula C36H60O8 ChemAxon inchi InChI=1S/C36H60O8/c1-21(10-13-27(37)32(4,5)42)22-14-16-36(9)24-11-12-26-31(2,3)30(41)25(44-29(40)20-33(6,43)19-28(38)39)18-34(26,7)23(24)15-17-35(22,36)8/h21-22,25-27,30,37,41-43H,10-20H2,1-9H3,(H,38,39) ChemAxon inchikey VOAJMYUEWCGJID-UHFFFAOYSA-N ChemAxon polar_surface_area 144.52 ChemAxon refractivity 168.9 ChemAxon polarizability 72.15 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 79803 Specdb::MsMs 79804 Specdb::MsMs 79805 Specdb::MsMs 140484 Specdb::MsMs 140485 Specdb::MsMs 140486 Specdb::MsMs 2326305 Specdb::MsMs 2326306 Specdb::MsMs 2326307 Specdb::MsMs 2612764 Specdb::MsMs 2612765 Specdb::MsMs 2612766 Specdb::CMs 17398 Specdb::CMs 44873 Specdb::CMs 544033 Specdb::CMs 544034 Specdb::CMs 544035 Specdb::CMs 544036 Specdb::CMs 544037 Specdb::CMs 544038 Specdb::CMs 544039 Specdb::CMs 544040 Specdb::CMs 544041 Specdb::CMs 544042 Specdb::CMs 544043 Specdb::CMs 544044 Specdb::CMs 544045 Specdb::CMs 544046 Specdb::CMs 544047 Specdb::CMs 544048 Specdb::CMs 544049 Specdb::CMs 544050 Specdb::CMs 544051 Specdb::CMs 544052 Specdb::CMs 544053 Specdb::CMs 544054 Specdb::CMs 544055 HMDB36439 #<Reference:0x000055ce32850178> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322