ChemSpider 2D Image | Methyl (3beta,18beta,20alpha)-11,17-dimethoxy-18-({[3,4,5-trimethoxy(2-~3~H)phenyl]carbonyl}oxy)yohimban-16-carboxylate | C33H39TN2O9

Methyl (3β,18β,20α)-11,17-dimethoxy-18-({[3,4,5-trimethoxy(2-3H)phenyl]carbonyl}oxy)yohimban-16-carboxylate

  • Molecular FormulaC33H39TN2O9
  • Average mass610.687 Da
  • Monoisotopic mass610.281616 Da
  • ChemSpider ID114394416

  • defined stereocentres - 4 of 6 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3β,18β,20α)-11,17-Diméthoxy-18-({[3,4,5-triméthoxy(2-3H)phényl]carbonyl}oxy)yohimban-16-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl (3β,18β,20α)-11,17-dimethoxy-18-({[3,4,5-trimethoxy(2-3H)phenyl]carbonyl}oxy)yohimban-16-carboxylate [ACD/IUPAC Name]
Methyl-(3β,18β,20α)-11,17-dimethoxy-18-({[3,4,5-trimethoxy(2-3H)phenyl]carbonyl}oxy)johimban-16-carboxylat [German] [ACD/IUPAC Name]
Yohimban-16-carboxylic acid, 11,17-dimethoxy-18-[[(3,4,5-trimethoxyphenyl-2-t)carbonyl]oxy]-, methyl ester, (3β,18β,20α)- [ACD/Index Name]

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

Density:
Boiling Point: 700.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.5±3.0 kJ/mol
Flash Point: 377.2±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.05
ACD/LogD (pH 5.5): 2.42
ACD/BCF (pH 5.5): 15.70
ACD/KOC (pH 5.5): 80.10
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 503.63
ACD/KOC (pH 7.4): 2569.35
Polar Surface Area: 118 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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