ALSTONINE

methyl (15S,16S,20S)-16-methyl-17-oxa-3-aza-13-azoniapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,18-heptaene-19-carboxylate

Also Known As: ALSTONINE|Indole alkaloid|alstonine(1+)|Serpentine (alkaloid)|methyl methyl[?]carboxylate|BG 8|Alstonine, hydroxide, inner salt|4CN-2608|Oxayohimbanium, 3,4,5,6,16,17-hexadehydro-16-(methoxycarbonyl)-19-methyl-, (19alpha,20alpha)-|methyl (15S,16S,20S)-16-methyl-17-oxa-3-aza-13-azoniapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,18-heptaene-19-carboxylate|(19alpha,20alpha)-3,4,5,6,16,17-Hexadehydro-16-(methoxycarbonyl)-19-methyloxayohimbanium|3,4,5,6,16,17-Hexadehydro-16-(methoxycarbonyl)-19.alpha.-methyl-20.alpha.-oxayohimbanium|3,4,5,6,16,17-Hexadehydro-16-(methoxycarbonyl)-19alpha-methyl-20alpha-oxayohimbanium|(19-alpha,20-alpha)-3,4,5,6,16,17-Hexadehydro-16-(methoxycarbonyl)-19-methyloxayohimbanium inner salt|(19alpha,20alpha)-16-(methoxycarbonyl)-19-methyl-3,4,5,6,16,17-hexadehydro-18-oxayohimban-4-ium|(4S,4aS,14aS)-4,4a,5,13,14,14a-hexahydro-1-(methoxycarbonyl)-4-methylindolo[2,3-a]pyrano[3,4-g]quinolizin-6-ium inner salt|16-(Methoxycarbonyl)-19alpha-methyl-20alpha-3,4,5,6,16,17-hexadehydro-18-oxayohimban-4-ium|Oxayohimbanium, 3,4,5,6,16,17-hexadehydro-16-(methoxycarbonyl)-19-methyl-, hydroxide, inner salt, (19.alpha.,20.alpha.)-

Molecular Formula	C21H21N2O3+
Molecular Weight	349.1552 g/mol
LogP	3.1
Topological Polar Surface Area	55.2 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	2
Exact Mass	349.1552
Monoisotopic Mass	349.1552
Heavy Atoms	26
Complexity	606.0

Chemical Identifiers

CAS Number	642-18-2
SMILES	C[C@H]1[C@@H]2C[N+]3=C(C[C@@H]2C(=CO1)C(=O)OC)C4=C(C=C3)C5=CC=CC=C5N4
InChIKey	WYTGDNHDOZPMIW-RCBQFDQVSA-O