1.0 2010-04-08 22:10:56 UTC 2019-11-26 03:09:09 UTC FDB013835 Fasciculol E Constituent of mushroom Naematoloma fasciculare. Fasciculol E is found in mushrooms. Fasciculol E C39H65NO11 723.9335 723.455761927 4,16-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-5-yl 3-hydroxy-6-[(2-methoxy-2-oxoethyl)amino]-5-oxohexanoate 4,16-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-5-yl 3-hydroxy-6-[(2-methoxy-2-oxoethyl)amino]-5-oxohexanoate 65694-20-4 COC(=O)CNCC(=O)CC(O)CC(=O)OC1C(O)CC2(C)C(CCC3=C2CC(O)C2(C)C(CCC32C)C(CO)CCC(O)C(C)(C)O)C1(C)C InChI=1S/C39H65NO11/c1-35(2)29-11-10-26-27(17-31(46)39(7)25(13-14-38(26,39)6)22(21-41)9-12-30(45)36(3,4)49)37(29,5)18-28(44)34(35)51-32(47)16-23(42)15-24(43)19-40-20-33(48)50-8/h22-23,25,28-31,34,40-42,44-46,49H,9-21H2,1-8H3 SSGYYGXYMFWIQF-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 Alpha amino acid esters Alpha-amino ketones Beta hydroxy acids and derivatives Beta-hydroxy ketones Cyclic alcohols and derivatives Dialkylamines Dicarboxylic acids and derivatives Hydrocarbon derivatives Methyl esters Organic oxides Organopnictogen compounds Pentahydroxy bile acids, alcohols and derivatives Polyols Primary alcohols Secondary alcohols Steroid esters Tertiary alcohols 12-hydroxysteroid 2-hydroxysteroid 21-hydroxysteroid 24-hydroxysteroid 25-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Alpha-amino acid ester Alpha-amino acid or derivatives Alpha-aminoketone Amine Amino acid or derivatives Beta-hydroxy acid Beta-hydroxy ketone Bile acid, alcohol, or derivatives Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Dicarboxylic acid or derivatives Hydrocarbon derivative Hydroxy acid Hydroxy bile acid, alcohol, or derivatives Hydroxysteroid Ketone Methyl ester 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 aliphatic amine Secondary amine Steroid Steroid ester Tertiary alcohol Triterpenoid logp 2.35 ALOGPS logs -4.79 ALOGPS solubility 1.17e-02 g/l ALOGPS logp 1 ChemAxon pka_strongest_acidic 13.63 ChemAxon pka_strongest_basic 4.49 ChemAxon iupac 4,16-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-5-yl 3-hydroxy-6-[(2-methoxy-2-oxoethyl)amino]-5-oxohexanoate ChemAxon average_mass 723.9335 ChemAxon mono_mass 723.455761927 ChemAxon smiles COC(=O)CNCC(=O)CC(O)CC(=O)OC1C(O)CC2(C)C(CCC3=C2CC(O)C2(C)C(CCC32C)C(CO)CCC(O)C(C)(C)O)C1(C)C ChemAxon formula C39H65NO11 ChemAxon inchi InChI=1S/C39H65NO11/c1-35(2)29-11-10-26-27(17-31(46)39(7)25(13-14-38(26,39)6)22(21-41)9-12-30(45)36(3,4)49)37(29,5)18-28(44)34(35)51-32(47)16-23(42)15-24(43)19-40-20-33(48)50-8/h22-23,25,28-31,34,40-42,44-46,49H,9-21H2,1-8H3 ChemAxon inchikey SSGYYGXYMFWIQF-UHFFFAOYSA-N ChemAxon polar_surface_area 203.08 ChemAxon refractivity 190.17 ChemAxon polarizability 80.99 ChemAxon rotatable_bond_count 17 ChemAxon acceptor_count 10 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 761735 Specdb::CMs 761736 Specdb::CMs 761737 Specdb::CMs 761738 Specdb::CMs 761739 Specdb::CMs 761740 Specdb::CMs 761741 Specdb::CMs 761742 Specdb::CMs 761743 Specdb::CMs 761744 Specdb::CMs 761745 Specdb::CMs 761746 Specdb::CMs 761747 Specdb::CMs 761748 Specdb::CMs 761749 Specdb::CMs 761750 Specdb::CMs 761751 Specdb::CMs 761752 Specdb::CMs 761753 Specdb::CMs 761754 Specdb::CMs 761755 Specdb::CMs 761756 Specdb::CMs 761757 Specdb::CMs 761758 Specdb::CMs 761759 Specdb::MsMs 94290 Specdb::MsMs 94291 Specdb::MsMs 94292 Specdb::MsMs 158310 Specdb::MsMs 158311 Specdb::MsMs 158312 Specdb::MsMs 2315717 Specdb::MsMs 2315718 Specdb::MsMs 2315719 Specdb::MsMs 2622449 Specdb::MsMs 2622450 Specdb::MsMs 2622451 HMDB35189 #<Reference:0x000055ce335dfe88> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322