ChemSpider 2D Image | Methyl 17-methoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylate | C32H38N2O8

Methyl 17-methoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylate

  • Molecular FormulaC32H38N2O8
  • Average mass578.653 Da
  • Monoisotopic mass578.262817 Da
  • ChemSpider ID452498

More details:

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

17-Méthoxy-18-[(3,4,5-triméthoxybenzoyl)oxy]yohimban-16-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 17-methoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylate [ACD/IUPAC Name]
Methyl-17-methoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]johimban-16-carboxylat [German] [ACD/IUPAC Name]
Yohimban-16-carboxylic acid, 17-methoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester [ACD/Index Name]
3β,20α-Yohimban-16β-carboxylic acid, 18β-hydroxy-17α-methoxy-, methyl ester, 3,4,5-trimethoxybenzoate (ester)
3-β,20-α-Yohimban-16-β-carboxylic acid, 18-β-hydroxy-17-α-methoxy-,methyl ester, 3,4,5-trimethoxybenzoate
Benz(g)indolo(2,3-a)quinolizine-1-carboxylic acid, 1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydro-3-hydroxy-2-methoxy-, methyl ester, 3,4,5-trimethoxybenzoate

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

A-11025 [DBID]
Lilly 22641 [DBID]
NSC 72138 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 676.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.3±3.0 kJ/mol
Flash Point: 362.7±31.5 °C
Index of Refraction: 1.626
Molar Refractivity: 154.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.19
ACD/LogD (pH 5.5): 2.06
ACD/BCF (pH 5.5): 6.61
ACD/KOC (pH 5.5): 33.00
ACD/LogD (pH 7.4): 3.73
ACD/BCF (pH 7.4): 312.68
ACD/KOC (pH 7.4): 1560.00
Polar Surface Area: 109 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 60.1±5.0 dyne/cm
Molar Volume: 436.7±5.0 cm3

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