Isoreserpiline pseudoindoxyl

methyl (1S,4aS,5aS,6S,10aS)-5',6'-dimethoxy-1-methyl-3'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,2'-1H-indole]-4-carboxylate

Also Known As: isoreserpiline pseudoindoxyl|(2S,3S,15S,19S,20S)-isoreserpiline pseudoindoxyl|methyl (1S,4aS,5aS,6S,10aS)-5',6'-dimethoxy-1-methyl-3'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,2'-1H-indole]-4-carboxylate|methyl rel-(1'R,2R,4a'R,5a'R,10a'R)-5,6-dimethoxy-1'-methyl-3-oxo-1,3,5',5a',7',8',10',10a'-octahydro-1'H,4a'H-spiro[indole-2,6'-pyrano[3,4-f]indolizine]-4'-carboxylate|spiro[2H-indole-2,6'(10'H)-[1H]pyrano[3,4-f]indolizine]-4'-carboxylic acid, 1,3,4'a,5',5'a,7',8',10'a-octahydro-5,6-dimethoxy-1'-methyl-3-oxo-, methyl ester, (1'S,2S,4a'S,5a'S,10a'S)-|Methyl (1'S,2S,4'aS,5'aS,10'aS)-5,6-dimethoxy-1'-methyl-3-oxo-1,3,5',5'a,7',8',10',10'a-octahydro-1'H,4'aH-spiro[indole-2,6'-pyrano[3,4-f]indolizine]-4'-carboxylate|methyl (1S,4aS,5aS,6S,10aS)-5',6'-dimethoxy-1-methyl-3'-oxospiro(1,4a,5,5a,7,8,10,10a-octahydropyrano(3,4-f)indolizine-6,2'-1H-indole)-4-carboxylate|methyl rel-(1'R,2R,4a'R,5a'R,10a'R)-5,6-dimethoxy-1'-methyl-3-oxo-1,3,5',5a',7',8',10',10a'-octahydro-1'H,4a'H-spiro(indole-2,6'-pyrano(3,4-f)indolizine)-4'-carboxylate|spiro(2H-indole-2,6'(10'H)-(1H)pyrano(3,4-f)indolizine)-4'-carboxylic acid, 1,3,4'a,5',5'a,7',8',10'a-octahydro-5,6-dimethoxy-1'-methyl-3-oxo-, methyl ester, (1'S,2S,4a'S,5a'S,10a'S)-

Molecular Formula	C23H28N2O6
Molecular Weight	428.19473 g/mol
LogP	2.3
Topological Polar Surface Area	86.3 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	4
Exact Mass	428.19473
Monoisotopic Mass	428.19473
Heavy Atoms	31
Complexity	786.0

Chemical Identifiers

CAS Number	5802-11-9
SMILES	C[C@H]1[C@@H]2CN3CC[C@]4([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)C(=O)C5=CC(=C(C=C5N4)OC)OC
InChIKey	BSQCYJALKUSFFD-GCIZAMGCSA-N