1.0 2010-04-08 22:09:36 UTC 2025-11-18 23:26:32 UTC FDB011363 Antibiotic X 14889A Ruminant antibiotic feed additive X 14889A C33H60O8 584.8247 584.428818896 3-{5-[5-ethyl-2-hydroxy-5-(1-hydroxyethyl)-3-methyloxolan-2-yl]-3,5-dimethyloxolan-2-yl}-7-(6-ethyl-6-hydroxy-3,5-dimethyloxan-2-yl)-6-hydroxy-5-methyloctan-4-one 3-{5-[5-ethyl-2-hydroxy-5-(1-hydroxyethyl)-3-methyloxolan-2-yl]-3,5-dimethyloxolan-2-yl}-7-(6-ethyl-6-hydroxy-3,5-dimethyloxan-2-yl)-6-hydroxy-5-methyloctan-4-one 97671-96-0 CCC(C1OC(C)(CC1C)C1(O)OC(CC)(CC1C)C(C)O)C(=O)C(C)C(O)C(C)C1OC(O)(CC)C(C)CC1C InChI=1S/C33H60O8/c1-12-25(27(36)22(8)26(35)23(9)28-18(4)15-20(6)32(37,14-3)40-28)29-19(5)16-30(11,39-29)33(38)21(7)17-31(13-2,41-33)24(10)34/h18-26,28-29,34-35,37-38H,12-17H2,1-11H3 CQTXDSXQPBLXND-UHFFFAOYSA-N belongs to the class of organic compounds known as sesterterpenoids. These are terpenes composed of five consecutive isoprene units. Sesterterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesterterpenoids Aliphatic heteromonocyclic compounds Beta-hydroxy ketones Dialkyl ethers Fatty alcohols Hemiacetals Hydrocarbon derivatives Organic oxides Oxacyclic compounds Oxanes Secondary alcohols Terpene glycosides Tetrahydrofurans Alcohol Aliphatic heteromonocyclic compound Beta-hydroxy ketone Carbonyl group Dialkyl ether Ether Fatty acyl Fatty alcohol Hemiacetal Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Secondary alcohol Sesterterpenoid Terpene glycoside Tetrahydrofuran logp 4.01 ALOGPS logs -4.80 ALOGPS solubility 9.37e-03 g/l ALOGPS melting_point Mp 149-150° logp 5.96 ChemAxon pka_strongest_acidic 10.79 ChemAxon pka_strongest_basic -3 ChemAxon iupac 3-{5-[5-ethyl-2-hydroxy-5-(1-hydroxyethyl)-3-methyloxolan-2-yl]-3,5-dimethyloxolan-2-yl}-7-(6-ethyl-6-hydroxy-3,5-dimethyloxan-2-yl)-6-hydroxy-5-methyloctan-4-one ChemAxon average_mass 584.8247 ChemAxon mono_mass 584.428818896 ChemAxon smiles CCC(C1OC(C)(CC1C)C1(O)OC(CC)(CC1C)C(C)O)C(=O)C(C)C(O)C(C)C1OC(O)(CC)C(C)CC1C ChemAxon formula C33H60O8 ChemAxon inchi InChI=1S/C33H60O8/c1-12-25(27(36)22(8)26(35)23(9)28-18(4)15-20(6)32(37,14-3)40-28)29-19(5)16-30(11,39-29)33(38)21(7)17-31(13-2,41-33)24(10)34/h18-26,28-29,34-35,37-38H,12-17H2,1-11H3 ChemAxon inchikey CQTXDSXQPBLXND-UHFFFAOYSA-N ChemAxon polar_surface_area 125.68 ChemAxon refractivity 158.61 ChemAxon polarizability 66.54 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 8 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 8687 Specdb::MsMs 8688 Specdb::MsMs 8689 Specdb::MsMs 15359 Specdb::MsMs 15360 Specdb::MsMs 15361 Specdb::MsMs 2774324 Specdb::MsMs 2774325 Specdb::MsMs 2774326 Specdb::MsMs 2904519 Specdb::MsMs 2904520 Specdb::MsMs 2904521 Specdb::CMs 20029 Specdb::CMs 43246 Specdb::CMs 282742 Specdb::CMs 407813 Specdb::CMs 407814 Specdb::CMs 407815 Specdb::CMs 407816 Specdb::CMs 407817 Specdb::CMs 407818 Specdb::CMs 407819 Specdb::CMs 407820 Specdb::CMs 407821 Specdb::CMs 407822 Specdb::CMs 407823 Specdb::CMs 407824 Specdb::CMs 407825 Specdb::CMs 407826 Specdb::CMs 407827 Specdb::CMs 407828 Specdb::CMs 407829 Specdb::CMs 407830 Specdb::CMs 407831 Specdb::CMs 407832 Specdb::CMs 407833 Specdb::CMs 407834 HMDB33336 #<Reference:0x000055ce32123d78>