1.0 2010-04-08 22:05:19 UTC 2025-11-18 22:36:34 UTC FDB002314 20-Deoxynarasin Useful feed additive 20-Deoxynarasin C43H72O10 749.0258 748.512548524 2-(6-{6-[2-(5-ethyl-5-hydroxy-6-methyloxan-2-yl)-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.5⁷.3⁵]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl}-3,5-dimethyloxan-2-yl)butanoic acid 2-(6-{6-[2-(5-ethyl-5-hydroxy-6-methyloxan-2-yl)-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.5⁷.3⁵]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl}-3,5-dimethyloxan-2-yl)butanoic acid 70022-35-4 CCC(C1OC(C(C)C(O)C(C)C(=O)C(CC)C2OC3(OC4(CCC(C)(O4)C4CCC(O)(CC)C(C)O4)CC=C3)C(C)CC2C)C(C)CC1C)C(O)=O InChI=1S/C43H72O10/c1-12-31(35(45)28(8)34(44)29(9)36-24(4)22-25(5)37(50-36)32(13-2)39(46)47)38-26(6)23-27(7)43(51-38)18-15-17-42(53-43)21-20-40(11,52-42)33-16-19-41(48,14-3)30(10)49-33/h15,18,24-34,36-38,44,48H,12-14,16-17,19-23H2,1-11H3,(H,46,47) DIUFDFNALWNSNW-UHFFFAOYSA-N belongs to the class of organic compounds known as diterpene glycosides. These are diterpenoids in which an isoprene unit is glycosylated. Diterpene glycosides Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene glycosides Aliphatic heteropolycyclic compounds Beta-hydroxy ketones Branched fatty acids Carboxylic acids Dialkyl ethers Diterpenoids Fatty alcohols Heterocyclic fatty acids Hydrocarbon derivatives Hydroxy fatty acids Ketals Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Oxanes Pyrans Secondary alcohols Tertiary alcohols Tetrahydrofurans Acetal Alcohol Aliphatic heteropolycyclic compound Beta-hydroxy ketone Branched fatty acid Carbonyl group Carboxylic acid Carboxylic acid derivative Dialkyl ether Diterpene glycoside Diterpenoid Ether Fatty acyl Fatty alcohol Heterocyclic fatty acid Hydrocarbon derivative Hydroxy fatty acid Ketal Ketone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Pyran Secondary alcohol Tertiary alcohol Tetrahydrofuran logp 5.74 ALOGPS logs -5.93 ALOGPS solubility 8.81e-04 g/l ALOGPS logp 8.57 ChemAxon pka_strongest_acidic 4.5 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-(6-{6-[2-(5-ethyl-5-hydroxy-6-methyloxan-2-yl)-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.5⁷.3⁵]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl}-3,5-dimethyloxan-2-yl)butanoic acid ChemAxon average_mass 749.0258 ChemAxon mono_mass 748.512548524 ChemAxon smiles CCC(C1OC(C(C)C(O)C(C)C(=O)C(CC)C2OC3(OC4(CCC(C)(O4)C4CCC(O)(CC)C(C)O4)CC=C3)C(C)CC2C)C(C)CC1C)C(O)=O ChemAxon formula C43H72O10 ChemAxon inchi InChI=1S/C43H72O10/c1-12-31(35(45)28(8)34(44)29(9)36-24(4)22-25(5)37(50-36)32(13-2)39(46)47)38-26(6)23-27(7)43(51-38)18-15-17-42(53-43)21-20-40(11,52-42)33-16-19-41(48,14-3)30(10)49-33/h15,18,24-34,36-38,44,48H,12-14,16-17,19-23H2,1-11H3,(H,46,47) ChemAxon inchikey DIUFDFNALWNSNW-UHFFFAOYSA-N ChemAxon polar_surface_area 140.98 ChemAxon refractivity 203.44 ChemAxon polarizability 83.61 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 10 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 54588 Specdb::MsMs 54589 Specdb::MsMs 54590 Specdb::MsMs 119982 Specdb::MsMs 119983 Specdb::MsMs 119984 Specdb::MsMs 2435755 Specdb::MsMs 2435756 Specdb::MsMs 2435757 Specdb::MsMs 2526003 Specdb::MsMs 2526004 Specdb::MsMs 2526005 Specdb::CMs 777469 Specdb::CMs 777470 Specdb::CMs 777471 Specdb::CMs 777472 Specdb::CMs 777473 Specdb::CMs 777474 Specdb::CMs 777475 Specdb::CMs 777476 Specdb::CMs 777477 Specdb::CMs 777478 Specdb::CMs 777479 Specdb::CMs 777480 Specdb::CMs 777481 Specdb::CMs 777482 Specdb::CMs 777483 Specdb::CMs 777484 Specdb::CMs 777485 Specdb::CMs 777486 Specdb::CMs 777487 HMDB0030449