1.0 2010-04-08 22:10:56 UTC 2019-11-26 03:09:09 UTC FDB013834 Fasciculol F Constituent of mushrooms Naematoloma fasciculare and Naematoloma sublateritum. Fasciculol F is found in mushrooms. Fasciculol F C39H65NO11 723.9335 723.455761927 (Z)-5-{[5,16-dihydroxy-2,6,6,11,15-pentamethyl-14-(1,5,6-trihydroxy-6-methylheptan-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-4-yl]oxy}-3-hydroxy-N-(2-methoxy-2-oxoethyl)-3-methyl-5-oxopentimidic acid (Z)-5-{[5,16-dihydroxy-2,6,6,11,15-pentamethyl-14-(1,5,6-trihydroxy-6-methylheptan-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-4-yl]oxy}-3-hydroxy-N-(2-methoxy-2-oxoethyl)-3-methyl-5-oxopentimidic acid 65694-21-5 COC(=O)C\N=C(/O)CC(C)(O)CC(=O)OC1CC2(C)C(CCC3=C2CC(O)C2(C)C(CCC32C)C(CO)CCC(O)C(C)(C)O)C(C)(C)C1O InChI=1S/C39H65NO11/c1-34(2)27-12-11-24-25(16-29(43)39(8)23(14-15-38(24,39)7)22(21-41)10-13-28(42)35(3,4)48)37(27,6)17-26(33(34)47)51-31(45)19-36(5,49)18-30(44)40-20-32(46)50-9/h22-23,26-29,33,41-43,47-49H,10-21H2,1-9H3,(H,40,44) YKNPFZYHSXIFMX-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 12-hydroxysteroids 21-hydroxysteroids 3-hydroxysteroids Alpha amino acid esters Carbonyl compounds Cyclic alcohols and derivatives Dicarboxylic acids and derivatives Hydrocarbon derivatives Methyl esters N-acyl amines N-acyl-alpha amino acids and derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Pentahydroxy bile acids, alcohols and derivatives Polyols Primary alcohols Secondary alcohols Secondary carboxylic acid amides Steroid esters Tertiary alcohols 12-hydroxysteroid 21-hydroxysteroid 24-hydroxysteroid 25-hydroxysteroid 3-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Alpha-amino acid ester Alpha-amino acid or derivatives Bile acid, alcohol, or derivatives Carbonyl group Carboxamide group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Dicarboxylic acid or derivatives Fatty acyl Fatty amide Hydrocarbon derivative Hydroxy bile acid, alcohol, or derivatives Hydroxysteroid Methyl ester N-acyl-alpha amino acid or derivatives N-acyl-amine Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pentahydroxy bile acid, alcohol, or derivatives Polyol Primary alcohol Secondary alcohol Secondary carboxylic acid amide Steroid Steroid ester Tertiary alcohol Triterpenoid logp 3.04 ALOGPS logs -4.58 ALOGPS solubility 1.90e-02 g/l ALOGPS melting_point Mp 103-105° logp 1.68 ChemAxon pka_strongest_acidic 6.54 ChemAxon pka_strongest_basic 1.31 ChemAxon iupac (Z)-5-{[5,16-dihydroxy-2,6,6,11,15-pentamethyl-14-(1,5,6-trihydroxy-6-methylheptan-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-4-yl]oxy}-3-hydroxy-N-(2-methoxy-2-oxoethyl)-3-methyl-5-oxopentimidic acid ChemAxon average_mass 723.9335 ChemAxon mono_mass 723.455761927 ChemAxon smiles COC(=O)C\N=C(/O)CC(C)(O)CC(=O)OC1CC2(C)C(CCC3=C2CC(O)C2(C)C(CCC32C)C(CO)CCC(O)C(C)(C)O)C(C)(C)C1O ChemAxon formula C39H65NO11 ChemAxon inchi InChI=1S/C39H65NO11/c1-34(2)27-12-11-24-25(16-29(43)39(8)23(14-15-38(24,39)7)22(21-41)10-13-28(42)35(3,4)48)37(27,6)17-26(33(34)47)51-31(45)19-36(5,49)18-30(44)40-20-32(46)50-9/h22-23,26-29,33,41-43,47-49H,10-21H2,1-9H3,(H,40,44) ChemAxon inchikey YKNPFZYHSXIFMX-UHFFFAOYSA-N ChemAxon polar_surface_area 206.57 ChemAxon refractivity 190.36 ChemAxon polarizability 80.74 ChemAxon rotatable_bond_count 15 ChemAxon acceptor_count 10 ChemAxon donor_count 7 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 57183 Specdb::MsMs 57184 Specdb::MsMs 57185 Specdb::MsMs 112782 Specdb::MsMs 112783 Specdb::MsMs 112784 Specdb::MsMs 2810072 Specdb::MsMs 2810073 Specdb::MsMs 2810074 Specdb::MsMs 2899554 Specdb::MsMs 2899555 Specdb::MsMs 2899556 Specdb::CMs 761700 Specdb::CMs 761701 Specdb::CMs 761702 Specdb::CMs 761703 Specdb::CMs 761704 Specdb::CMs 761705 Specdb::CMs 761706 Specdb::CMs 761707 Specdb::CMs 761708 Specdb::CMs 761709 Specdb::CMs 761710 Specdb::CMs 761711 Specdb::CMs 761712 Specdb::CMs 761713 Specdb::CMs 761714 Specdb::CMs 761715 Specdb::CMs 761716 Specdb::CMs 761717 Specdb::CMs 761718 Specdb::CMs 761719 Specdb::CMs 761720 Specdb::CMs 761721 Specdb::CMs 761722 Specdb::CMs 761723 Specdb::CMs 761724 HMDB35188 #<Reference:0x000055ce3329d2e8> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322