Found 37 results

Search term: MF = 'C_{35}H_{42}N_{2}O_{9}'
ChemSpider 2D Image | Methyl 11,17-dimethoxy-18-{[(2E)-3-(3,4,5-trimethoxyphenyl)-2-propenoyl]oxy}yohimban-16-carboxylate | C35H42N2O9

Methyl 11,17-dimethoxy-18-{[(2E)-3-(3,4,5-trimethoxyphenyl)-2-propenoyl]oxy}yohimban-16-carboxylate

  • Molecular FormulaC35H42N2O9
  • Average mass634.716 Da
  • Monoisotopic mass634.289001 Da
  • ChemSpider ID4510261

  • Double-bond stereo - Double-bond stereo

More details:

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

11,17-Diméthoxy-18-{[(2E)-3-(3,4,5-triméthoxyphényl)-2-propenoyl]oxy}yohimban-16-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 11,17-dimethoxy-18-{[(2E)-3-(3,4,5-trimethoxyphenyl)-2-propenoyl]oxy}yohimban-16-carboxylate [ACD/IUPAC Name]
Methyl-11,17-dimethoxy-18-{[(2E)-3-(3,4,5-trimethoxyphenyl)-2-propenoyl]oxy}johimban-16-carboxylat [German] [ACD/IUPAC Name]
Yohimban-16-carboxylic acid, 11,17-dimethoxy-18-[[(2E)-1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propen-1-yl]oxy]-, methyl ester [ACD/Index Name]
3,4,5-Trimethoxycinnamic acid, methyl reserpate
3,4,5-Trimethoxycinnamoyl methyl reserpate
3,4,5-Trimethylcinnamic acid, ester with methyl reserpate
3,4,5-Trimethylcinnamoyl methyl reserpate
3β,20α-Yohimban-16β-carboxylic acid, 18β-hydroxy-11,17α-dimethoxy-, methyl ester, 3,4,5-trimethoxycinnamate (ester)
3-β,20-α-Yohimban-16-β-carboxylic acid, 18-β-hydroxy-11,17-α-dimethoxy-,methyl ester, 3,4,5-trimethoxycinnamate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 756.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.3±3.0 kJ/mol
Flash Point: 411.5±32.9 °C
Index of Refraction: 1.621
Molar Refractivity: 170.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 2.50
ACD/BCF (pH 5.5): 17.83
ACD/KOC (pH 5.5): 87.46
ACD/LogD (pH 7.4): 4.01
ACD/BCF (pH 7.4): 575.73
ACD/KOC (pH 7.4): 2823.56
Polar Surface Area: 118 Å2
Polarizability: 67.4±0.5 10-24cm3
Surface Tension: 59.4±5.0 dyne/cm
Molar Volume: 483.5±5.0 cm3

Click to predict properties on the Chemicalize site


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