ChemSpider 2D Image | (13S,15S,17S)-13-[4-Acetoxy-5-hydroxy-8-methoxy-5-(methoxycarbonyl)-6-methyl-3a,4,5,5a,6,11,12,13a-octahydro-1H-indolizino[8,1-cd]carbazol-9-yl]-17-ethyl-11-aza-1-azoniatetracyclo[13.3.1.0~4,12~.0~5,1 0~]nonadeca-1(18),4(12),5,7,9-pentaene-13-carboxylate | C43H50N4O8

(13S,15S,17S)-13-[4-Acetoxy-5-hydroxy-8-methoxy-5-(methoxycarbonyl)-6-methyl-3a,4,5,5a,6,11,12,13a-octahydro-1H-indolizino[8,1-cd]carbazol-9-yl]-17-ethyl-11-aza-1-azoniatetracyclo[13.3.1.04,12.05,1 0]nonadeca-1(18),4(12),5,7,9-pentaene-13-carboxylate

  • Molecular FormulaC43H50N4O8
  • Average mass750.879 Da
  • Monoisotopic mass750.362854 Da
  • ChemSpider ID8072554

  • defined stereocentres - 3 of 9 defined stereocentres

More details:

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

(13S,15S,17S)-13-[4-Acetoxy-5-hydroxy-8-methoxy-5-(methoxycarbonyl)-6-methyl-3a,4,5,5a,6,11,12,13a-octahydro-1H-indolizino[8,1-cd]carbazol-9-yl]-17-ethyl-11-aza-1-azoniatetracyclo[13.3.1.04,12.05,1 0]nonadeca-1(18),4(12),5,7,9-pentaen-13-carboxylat [German] [ACD/IUPAC Name]
(13S,15S,17S)-13-[4-Acetoxy-5-hydroxy-8-methoxy-5-(methoxycarbonyl)-6-methyl-3a,4,5,5a,6,11,12,13a-octahydro-1H-indolizino[8,1-cd]carbazol-9-yl]-17-ethyl-11-aza-1-azoniatetracyclo[13.3.1.04,12.05,1 0]nonadeca-1(18),4(12),5,7,9-pentaene-13-carboxylate [ACD/IUPAC Name]
(13S,15S,17S)-13-[4-Acétoxy-5-hydroxy-8-méthoxy-5-(méthoxycarbonyl)-6-méthyl-3a,4,5,5a,6,11,12,13a-octahydro-1H-indolizino[8,1-cd]carbazol-9-yl]-17-éthyl-11-aza-1-azoniatétracyclo[13.3.1.04,12.05,1 0]nonadéca-1(18),4(12),5,7,9-pentaène-13-carboxylate [French] [ACD/IUPAC Name]
3,7-Methanoazacycloundecino[5,4-b]indol-3-ium, 9-[4-(acetyloxy)-3a,4,5,5a,6,11,12,13a-octahydro-5-hydroxy-8-methoxy-5-(methoxycarbonyl)-6-methyl-1H-indolizino[8,1-cd]carbazol-9-yl]-9-carboxy-5-ethyl-1 ,2,5,6,7,8,9,10-octahydro-, inner salt, (5S,7S,9S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 147 Å2
Polarizability:
Surface Tension:
Molar Volume:

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