1.0 2010-04-08 22:09:36 UTC 2015-07-20 22:39:49 UTC FDB011362 Antibiotic X 14889C Ruminant feed additive 20-De(1-hydroxypropyl)-20-(1-hydroxyethyl)-lysocellin 20-De(1-hydroxypropyl)-20-(1-hydroxyethyl)lysocellin Lysocellin, 20-de(1-hydroxypropyl)-20-(1-hydroxyethyl)- X 14889C C33H58O10 614.8076 614.402998076 2-[6-(6-{5-[5-ethyl-2-hydroxy-5-(1-hydroxyethyl)-3-methyloxolan-2-yl]-3,5-dimethyloxolan-2-yl}-3-hydroxy-4-methyl-5-oxooctan-2-yl)-2-hydroxy-3,5-dimethyloxan-2-yl]acetic acid [6-(6-{5-[5-ethyl-2-hydroxy-5-(1-hydroxyethyl)-3-methyloxolan-2-yl]-3,5-dimethyloxolan-2-yl}-3-hydroxy-4-methyl-5-oxooctan-2-yl)-2-hydroxy-3,5-dimethyloxan-2-yl]acetic acid 97671-95-9 CCC(C1OC(C)(CC1C)C1(O)OC(CC)(CC1C)C(C)O)C(=O)C(C)C(O)C(C)C1OC(O)(CC(O)=O)C(C)CC1C InChI=1S/C33H58O10/c1-11-24(29-18(4)14-30(10,41-29)33(40)20(6)15-31(12-2,43-33)23(9)34)27(38)21(7)26(37)22(8)28-17(3)13-19(5)32(39,42-28)16-25(35)36/h17-24,26,28-29,34,37,39-40H,11-16H2,1-10H3,(H,35,36) PMDYHIAMOYUOJS-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 Carboxylic acids Dialkyl ethers Fatty alcohols Hemiacetals Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Oxanes Secondary alcohols Terpene glycosides Tetrahydrofurans Alcohol Aliphatic heteromonocyclic compound Beta-hydroxy ketone Carbonyl group Carboxylic acid Carboxylic acid derivative Dialkyl ether Ether Fatty acyl Fatty alcohol Hemiacetal Hydrocarbon derivative Ketone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Secondary alcohol Sesterterpenoid Terpene glycoside Tetrahydrofuran logp 2.99 ALOGPS logs -4.61 ALOGPS solubility 1.51e-02 g/l ALOGPS logp 5.02 ChemAxon pka_strongest_acidic 4.3 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-[6-(6-{5-[5-ethyl-2-hydroxy-5-(1-hydroxyethyl)-3-methyloxolan-2-yl]-3,5-dimethyloxolan-2-yl}-3-hydroxy-4-methyl-5-oxooctan-2-yl)-2-hydroxy-3,5-dimethyloxan-2-yl]acetic acid ChemAxon average_mass 614.8076 ChemAxon mono_mass 614.402998076 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(O)=O)C(C)CC1C ChemAxon formula C33H58O10 ChemAxon inchi InChI=1S/C33H58O10/c1-11-24(29-18(4)14-30(10,41-29)33(40)20(6)15-31(12-2,43-33)23(9)34)27(38)21(7)26(37)22(8)28-17(3)13-19(5)32(39,42-28)16-25(35)36/h17-24,26,28-29,34,37,39-40H,11-16H2,1-10H3,(H,35,36) ChemAxon inchikey PMDYHIAMOYUOJS-UHFFFAOYSA-N ChemAxon polar_surface_area 162.98 ChemAxon refractivity 160.01 ChemAxon polarizability 68.25 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 10 ChemAxon donor_count 5 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 8015 Specdb::MsMs 8016 Specdb::MsMs 8017 Specdb::MsMs 14687 Specdb::MsMs 14688 Specdb::MsMs 14689 Specdb::MsMs 2467637 Specdb::MsMs 2467638 Specdb::MsMs 2467639 Specdb::MsMs 2498855 Specdb::MsMs 2498856 Specdb::MsMs 2498857 Specdb::CMs 12822 Specdb::CMs 43245 Specdb::CMs 539072 Specdb::CMs 539073 Specdb::CMs 539074 Specdb::CMs 539075 Specdb::CMs 539076 Specdb::CMs 539077 Specdb::CMs 539078 Specdb::CMs 539079 Specdb::CMs 539080 Specdb::CMs 539081 Specdb::CMs 539082 Specdb::CMs 539083 Specdb::CMs 539084 Specdb::CMs 539085 Specdb::CMs 539086 Specdb::CMs 539087 Specdb::CMs 539088 Specdb::CMs 539089 Specdb::CMs 539090 Specdb::CMs 539091 Specdb::CMs 539092 Specdb::CMs 539093 Specdb::CMs 539094 HMDB33335 #<Reference:0x000055ce326d77d8>