ChemSpider 2D Image | Methyl (3beta,16beta,17alpha,18beta,20alpha)-1,5-dibromo-11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylate | C33H38Br2N2O9

Methyl (3β,16β,17α,18β,20α)-1,5-dibromo-11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylate

  • Molecular FormulaC33H38Br2N2O9
  • Average mass766.471 Da
  • Monoisotopic mass764.094421 Da
  • ChemSpider ID118709

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(3β,16β,17α,18β,20α)-1,5-Dibromo-11,17-diméthoxy-18-[(3,4,5-triméthoxybenzoyl)oxy]yohimban-16-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl (3β,16β,17α,18β,20α)-1,5-dibromo-11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylate [ACD/IUPAC Name]
Methyl-(3β,16β,17α,18β,20α)-1,5-dibrom-11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]johimban-16-carboxylat [German] [ACD/IUPAC Name]
Yohimban-16-carboxylic acid, 1,5-dibromo-11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, (3β,16β,17α,18β,20α)- [ACD/Index Name]
84057-90-9 [RN]
Dibromoreserpine
Methyl (1R,15S,17R,18R,19S,20S)-3,12-dibromo-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-11,12,14,15,16,17,18,19,20,21-decahydro-1H-yohimban-19-carboxylate
Yohimban-16-carboxylic acid, dibromo-11,17-dimethoxy-18-((3,4,5-trimethoxybenzoyl)oxy)-, methyl ester, (3β,16β,17α,18β,20α)-

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

Density: 1.6±0.1 g/cm3
Boiling Point: 747.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.0±3.0 kJ/mol
Flash Point: 406.1±35.7 °C
Index of Refraction: 1.651
Molar Refractivity: 172.7±0.5 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 6.16
ACD/LogD (pH 5.5): 5.54
ACD/BCF (pH 5.5): 9523.57
ACD/KOC (pH 5.5): 24483.42
ACD/LogD (pH 7.4): 5.54
ACD/BCF (pH 7.4): 9580.27
ACD/KOC (pH 7.4): 24629.21
Polar Surface Area: 107 Å2
Polarizability: 68.5±0.5 10-24cm3
Surface Tension: 49.6±7.0 dyne/cm
Molar Volume: 473.0±7.0 cm3

Click to predict properties on the Chemicalize site


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