ChemSpider 2D Image | Methyl (3beta,17alpha,20alpha)-11,17-dimethoxy-18-[2-(4-methoxyphenoxy)acetoxy]yohimban-16-carboxylate | C32H38N2O8

Methyl (3β,17α,20α)-11,17-dimethoxy-18-[2-(4-methoxyphenoxy)acetoxy]yohimban-16-carboxylate

  • Molecular FormulaC32H38N2O8
  • Average mass578.653 Da
  • Monoisotopic mass578.262817 Da
  • ChemSpider ID10009538
  • defined stereocentres - 4 of 6 defined stereocentres


More details:






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

(3β,17α,20α)-11,17-Diméthoxy-18-[2-(4-méthoxyphénoxy)acétoxy]yohimban-16-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl (3β,17α,20α)-11,17-dimethoxy-18-[2-(4-methoxyphenoxy)acetoxy]yohimban-16-carboxylate [ACD/IUPAC Name]
Methyl-(3β,17α,20α)-11,17-dimethoxy-18-[2-(4-methoxyphenoxy)acetoxy]johimban-16-carboxylat [German] [ACD/IUPAC Name]
Yohimban-16-carboxylic acid, 11,17-dimethoxy-18-[[2-(4-methoxyphenoxy)acetyl]oxy]-, methyl ester, (3β,17α,20α)- [ACD/Index Name]
(2R,4aS,13bR,14aS)-methyl 2,11-dimethoxy-3-(2-(4-methoxyphenoxy)acetoxy)-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydroindolo[2',3':3,4]pyrido[1,2-b]isoquinoline-1-carboxylate
KFDDPVMIQMFHBI-UPFLXVNKSA-N
methyl 11,17-dimethoxy-18-{[(4-methoxyphenoxy)acetyl]oxy}yohimban-16-carboxylate

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

AE-641/11700463 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 710.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.8±3.0 kJ/mol
Flash Point: 383.2±32.9 °C
Index of Refraction: 1.625
Molar Refractivity: 154.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 2.35
ACD/BCF (pH 5.5): 13.68
ACD/KOC (pH 5.5): 72.44
ACD/LogD (pH 7.4): 3.86
ACD/BCF (pH 7.4): 440.08
ACD/KOC (pH 7.4): 2331.22
Polar Surface Area: 109 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 60.2±5.0 dyne/cm
Molar Volume: 437.1±5.0 cm3

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