ChemSpider 2D Image | (5beta,6beta,7alpha,8alpha,9beta,10alpha,13alpha,14R)-6,7-Dihydroxy-15-oxo-7,20-epoxykaura-1,16-dien-14-yl (5-methoxy-1-methyl-4,7-dioxo-4,7-dihydro-1H-indol-3-yl)methyl succinate | C35H39NO11

(5β,6β,7α,8α,9β,10α,13α,14R)-6,7-Dihydroxy-15-oxo-7,20-epoxykaura-1,16-dien-14-yl (5-methoxy-1-methyl-4,7-dioxo-4,7-dihydro-1H-indol-3-yl)methyl succinate

  • Molecular FormulaC35H39NO11
  • Average mass649.684 Da
  • Monoisotopic mass649.252319 Da
  • ChemSpider ID76784099

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(5β,6β,7α,8α,9β,10α,13α,14R)-6,7-Dihydroxy-15-oxo-7,20-epoxykaura-1,16-dien-14-yl (5-methoxy-1-methyl-4,7-dioxo-4,7-dihydro-1H-indol-3-yl)methyl succinate [ACD/IUPAC Name]
(5β,6β,7α,8α,9β,10α,13α,14R)-6,7-Dihydroxy-15-oxo-7,20-epoxykaura-1,16-dien-14-yl-(5-methoxy-1-methyl-4,7-dioxo-4,7-dihydro-1H-indol-3-yl)methyl-succinat [German] [ACD/IUPAC Name]
Succinate de (5β,6β,7α,8α,9β,10α,13α,14R)-6,7-dihydroxy-15-oxo-7,20-époxykaura-1,16-dién-14-yle et de (5-méthoxy-1-méthyl-4,7-dioxo-4,7-dihydro-1H-indol-3-yl)méthyle [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 824.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.7±3.0 kJ/mol
Flash Point: 452.7±34.3 °C
Index of Refraction: 1.681
Molar Refractivity: 162.7±0.5 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.11
ACD/LogD (pH 5.5): 3.11
ACD/BCF (pH 5.5): 136.99
ACD/KOC (pH 5.5): 1177.72
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 136.93
ACD/KOC (pH 7.4): 1177.25
Polar Surface Area: 168 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 59.6±7.0 dyne/cm
Molar Volume: 429.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement