ChemSpider 2D Image | methyl 4-(acetyloxy)-15-[5-ethyl-6-hydroxy-9-(methoxycarbonyl)-1,4,5,6,7,8,9,10-octahydro-2H-3,7-methanoazacycloundecino[5,4-b]indol-9-yl]-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate | C46H58N4O9

methyl 4-(acetyloxy)-15-[5-ethyl-6-hydroxy-9-(methoxycarbonyl)-1,4,5,6,7,8,9,10-octahydro-2H-3,7-methanoazacycloundecino[5,4-b]indol-9-yl]-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate

  • Molecular FormulaC46H58N4O9
  • Average mass810.974 Da
  • Monoisotopic mass810.420349 Da
  • ChemSpider ID4220494

More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4-Acétoxy-15-[17-éthyl-16-hydroxy-13-(méthoxycarbonyl)-1,11-diazatétracyclo[13.3.1.04,12.05,10]nonadéca-4(12),5,7,9-tétraén-13-yl]-3-hydroxy-16-méthoxy-1-méthyl-6,7-didéhydroaspidospermidine-3-car boxylate de méthyle [French] [ACD/IUPAC Name]
Aspidospermidine-3-carboxylic acid, 4-(acetyloxy)-6,7-didehydro-15-[5-ethyl-1,4,5,6,7,8,9,10-octahydro-6-hydroxy-9-(methoxycarbonyl)-2H-3,7-methanoazacycloundecino[5,4-b]indol-9-yl]-3-hydroxy-16-metho xy-1-methyl-, methyl ester [ACD/Index Name]
aspidospermidine-3-carboxylic acid, 4-(acetyloxy)-6,7-didehydro-15-[5-ethyl-1,4,5,6,7,8,9,10-octahydro-6-hydroxy-9-(methoxycarbonyl)-2H-3,7-methanoazacycloundecino[5,4-b]indol-9-yl]-3-hydroxy-16-methoxy-1-methyl-, methyl ester
methyl 4-(acetyloxy)-15-[5-ethyl-6-hydroxy-9-(methoxycarbonyl)-1,4,5,6,7,8,9,10-octahydro-2H-3,7-methanoazacycloundecino[5,4-b]indol-9-yl]-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate
Methyl 4-acetoxy-15-[17-ethyl-16-hydroxy-13-(methoxycarbonyl)-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidin e-3-carboxylate [ACD/IUPAC Name]
Methyl-4-acetoxy-15-[17-ethyl-16-hydroxy-13-(methoxycarbonyl)-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidin -3-carboxylat [German] [ACD/IUPAC Name]
methyl 12-ethyl-4-[17-ethyl-16-hydroxy-13-methyloxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10-hydroxy-5-methoxy-8-methyl-11-methylcarbonyloxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.670
Molar Refractivity: 220.7±0.4 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.32
ACD/LogD (pH 5.5): 1.64
ACD/BCF (pH 5.5): 2.51
ACD/KOC (pH 5.5): 12.53
ACD/LogD (pH 7.4): 3.61
ACD/BCF (pH 7.4): 236.19
ACD/KOC (pH 7.4): 1180.33
Polar Surface Area: 154 Å2
Polarizability: 87.5±0.5 10-24cm3
Surface Tension: 70.5±5.0 dyne/cm
Molar Volume: 590.9±5.0 cm3

Click to predict properties on the Chemicalize site






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