Leurosidine N'b-oxide

methyl 11-acetyloxy-12-ethyl-4-(17-ethyl-17-hydroxy-13-methoxycarbonyl-1-oxido-11-aza-1-azoniatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl)-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate

Also Known As: Leurosidine N'b-oxide|Vinblastine N-Oxide|Vincaleukoblastine, 6'-oxide, (4'alpha)-|Methyl 11-acetyloxy-12-ethyl-4-(17-ethyl-17-hydroxy-13-methoxycarbonyl-1-oxido-11-aza-1-azoniatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl)-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate|Methyl 11-acetyloxy-12-ethyl-4-(17-ethyl-17-hydroxy-13-methoxycarbonyl-1-oxido-11-aza-1-azoniatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl)-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-te|Methyl 4-(acetyloxy)-15-[5-ethyl-5-hydroxy-9-(methoxycarbonyl)-3-oxo-1,2,3,4,5,6,7,8,9,10-decahydro-3,7-methano-3lambda~5~-azacycloundecino[5,4-b]indol-9-yl]-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate

Molecular Formula	C46H58N4O10
Molecular Weight	826.4153 g/mol
LogP	3.1
Topological Polar Surface Area	169.0 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	12
Rotatable Bonds	10
Exact Mass	826.4153
Monoisotopic Mass	826.4153
Heavy Atoms	60
Complexity	1750.0

Chemical Identifiers

CAS Number	80374-74-9
SMILES	CCC1(CC2CC(C3=C(CC[N+](C2)(C1)[O-])C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O
InChIKey	JJNRGDILJOBAEK-UHFFFAOYSA-N