Methyl (16E)-17-meth...
Check on isomerdesign
Methyl (16E)-17-meth...
Check on isomerdesign
Methyl (16E)-17-meth...
Check on isomerdesign
Data
InChI: InChI=1S/C22H28N2O4/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-27-2)20(25)28-3/h5-8,13-15,19H,4,9-12H2,1-3H3,(H,23,26)
Synonyms: Methyl (16E)-17-methoxy-2-oxo-7β-corynox-16-en-16-carboxylate,Methyl (16E)-17-methoxy-2-oxocorynox-16-en-16-carboxylate,Methyl (2E)-2-[(3R,6′S,7′S,8′aS)-6′-ethyl-2-oxo-1,2,2′,3′,6′,7′,8′,8′a-octahydro-5′H-spiro[indole-3,1′-indolizin]-7′-yl]-3-methoxyprop-2-enoate,Methyl (7β,16E)-17-methoxy-2-oxocorynox-16-en-16-carboxylate,Methyl (7β,16E,20α)-17-methoxy-2-oxocorynox-16-en-16-carboxylate,Methyl (16E)-17-methoxy-2-oxo-7β,20α-corynox-16-en-16-carboxylate,Methyl (2E)-2-[(3S,6′S,7′S,8′aS)-6′-ethyl-2-oxo-1,2,2′,3′,6′,7′,8′,8′a-octahydro-5′H-spiro[indole-3,1′-indolizin]-7′-yl]-3-methoxyprop-2-enoate,Methyl (2E)-2-[(3R,6′R,7′S,8′aS)-6′-ethyl-2-oxo-1,2,2′,3′,6′,7′,8′,8′a-octahydro-5′H-spiro[indole-3,1′-indolizin]-7′-yl]-3-methoxyprop-2-enoate
Estimated data
Solubility: -3.544 (log(S) in mol/L prediction using SolTranNet)
Blood Brain Barrier Permeability: No (prediction using frontiersin.org)
Addictivity Prediction: 42.7% (prediction based on www.mdpi.com)
