1.0 2026-03-31 21:11:09 UTC 2026-05-14 19:10:26 UTC Semduramicin SmallMolecule Semduramicin is an organic compound with the chemical formula C45H76O16. Semduramicin belongs to the carbohydrates and carbohydrate conjugates, a subclass of organooxygen compounds within the organic compounds. With an average molecular weight of 873.09 g/mol, Semduramicin is a heavy molecule. It has been identified in two recorded sources, including antibiotics used in healthcare, pharmaceuticals, and veterinary products, as well as non-electric simulated smoking devices found in household cleaning and consumer products. Recorded exposure routes for this compound include oral and inhalation. (3R,4S,5S,6R,7S,22S)-23,27-Didemethoxy-2,6,22-tridemethyl-5,11-di-O-demethyl-6-methoxy-22-(((2S,5S,6R)-tetrahydro-5-methoxy-6-methyl-2H-pyran-2-yl)oxy)lonomycin A [3R,4S,5S,6R,7S,22S(2S,5S,6R)]-23,27-Didemethoxy-2,6,22-tridemethyl-5,11-di-O-demethyl-6-methoxy-22-[(tetrahydro-5-methoxy-6-methyl-2H-pyran-2-yl)oxy]lonomycin A C45H76O16 873.087 872.513336 113378-31-7 [H][C@@]1(C[C@H](O[C@@]2([H])CC[C@H](OC)[C@@H](C)O2)[C@@]([H])(O1)[C@]1(C)CC[C@@]([H])(O1)[C@]1(C)CC[C@]2(C[C@H](O)[C@@H](C)[C@]([H])(O2)[C@@H](C)[C@]2([H])O[C@](O)(CC(O)=O)[C@@H](C)[C@H](O)[C@H]2OC)O1)[C@@]1([H])O[C@](C)(O)[C@H](C)C[C@@H]1C InChI=1S/C45H76O16/c1-22-18-23(2)43(9,50)58-36(22)30-19-31(55-34-13-12-29(52-10)27(6)54-34)40(56-30)42(8)15-14-32(57-42)41(7)16-17-44(61-41)20-28(46)24(3)37(59-44)25(4)38-39(53-11)35(49)26(5)45(51,60-38)21-33(47)48/h22-32,34-40,46,49-51H,12-21H2,1-11H3,(H,47,48)/t22-,23+,24+,25+,26-,27+,28-,29-,30+,31-,32+,34-,35-,36-,37-,38+,39+,40+,41-,42-,43-,44+,45+/m0/s1 WINSLRIENGBHSH-ASZYJFLUSA-N Detected and Not Quantified logp 4.2 average_mass 873.087 ChemAxon mono_mass 872.513336 ChemAxon smiles [H][C@@]1(C[C@H](O[C@@]2([H])CC[C@H](OC)[C@@H](C)O2)[C@@]([H])(O1)[C@]1(C)CC[C@@]([H])(O1)[C@]1(C)CC[C@]2(C[C@H](O)[C@@H](C)[C@]([H])(O2)[C@@H](C)[C@]2([H])O[C@](O)(CC(O)=O)[C@@H](C)[C@H](O)[C@H]2OC)O1)[C@@]1([H])O[C@](C)(O)[C@H](C)C[C@@H]1C ChemAxon formula C45H76O16 ChemAxon inchi InChI=1S/C45H76O16/c1-22-18-23(2)43(9,50)58-36(22)30-19-31(55-34-13-12-29(52-10)27(6)54-34)40(56-30)42(8)15-14-32(57-42)41(7)16-17-44(61-41)20-28(46)24(3)37(59-44)25(4)38-39(53-11)35(49)26(5)45(51,60-38)21-33(47)48/h22-32,34-40,46,49-51H,12-21H2,1-11H3,(H,47,48)/t22-,23+,24+,25+,26-,27+,28-,29-,30+,31-,32+,34-,35-,36-,37-,38+,39+,40+,41-,42-,43-,44+,45+/m0/s1 ChemAxon inchikey WINSLRIENGBHSH-ASZYJFLUSA-N ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7225e12e60> DB11545 71327 64433