Gambirine

methyl (E)-2-[(2S,3R,12bS)-3-ethyl-8-hydroxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate

Also Known As: Gambirine|(20R)-9-hydroxycorynantheidine|2,6-Bis(1-methylpropyl)-m-cresol|methyl (E)-2-[(2S,3R,12bS)-3-ethyl-8-hydroxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate|Corynan-16-carboxylic acid, 16,17-didehydro-9-hydroxy-17-methoxy-, methyl ester, (16E)-|INDOLO(2,3-A)QUINOLIZINE-2-ACETIC ACID, 3-ETHYL-1,2,3,4,6,7,12,12B-OCTAHYDRO-8-HYDROXY-.ALPHA.-(METHOXYMETHYLENE)-, METHYL ESTER, (.ALPHA.E,2S,3R,12BS)-|methyl (E)-2-((2S,3R,12bS)-3-ethyl-8-hydroxy-1,2,3,4,6,7,12,12b-octahydroindolo(2,3-a)quinolizin-2-yl)-3-methoxyprop-2-enoate

Molecular Formula	C22H28N2O4
Molecular Weight	384.2049 g/mol
LogP	3.5221
Topological Polar Surface Area	74.79 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	4
Exact Mass	384.2049
Monoisotopic Mass	384.2049
Heavy Atoms	28
Complexity	916.64264

Chemical Identifiers

CAS Number	29472-77-3
SMILES	CC[C@H]1CN2CCC3=C([C@@H]2C[C@@H]1/C(=C\OC)/C(=O)OC)NC4=C3C(=CC=C4)O