AC1L81VL

methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(13S,15S,19R)-17-ethyl-19-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,16-pentaen-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: Vincaleukoblastine,4'-didehydro-4'-deoxy-19'-hydroxy-|methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(13S,15S,19R)-17-ethyl-19-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,16-pentaen-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 4beta-(acetyloxy)-15-[(7S,9S,15R)-5-ethyl-15-hydroxy-9-(methoxycarbonyl)-1,4,7,8,9,10-hexahydro-2H-3,7-methanoazacycloundecino[5,4-b]indol-9-yl]-3beta-hydroxy-16-methoxy-1-methyl-2beta,5alpha,12beta,19alpha-6,7-didehydroaspidospermidine-3alpha-carboxylate

Molecular Formula	C46H56N4O9
Molecular Weight	808.4047 g/mol
LogP	3.5
Topological Polar Surface Area	154.0 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	12
Rotatable Bonds	10
Exact Mass	808.4047
Monoisotopic Mass	808.4047
Heavy Atoms	59
Complexity	1740.0

Chemical Identifiers

CAS Number	62069-66-3
SMILES	CCC1=C[C@@H]2C[C@@](C3=C(CCN(C1)[C@@H]2O)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC
InChIKey	CHFDRNMEGXAUOW-ZGRKLWBQSA-N