ChemSpider 2D Image | 8-Acetoxy-3,13,15-trihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)-20-methylaconitan-14-yl benzoate | C33H45NO11

8-Acetoxy-3,13,15-trihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)-20-methylaconitan-14-yl benzoate

  • Molecular FormulaC33H45NO11
  • Average mass631.711 Da
  • Monoisotopic mass631.299255 Da
  • ChemSpider ID368489

More details:

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

8-Acetoxy-3,13,15-trihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)-20-methylaconitan-14-yl benzoate [ACD/IUPAC Name]
8-Acetoxy-3,13,15-trihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)-20-methylaconitan-14-yl-benzoat [German] [ACD/IUPAC Name]
Aconitane-3,8,13,14,15-pentol, 1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-, 8-acetate 14-benzoate [ACD/Index Name]
Benzoate de 8-acétoxy-3,13,15-trihydroxy-1,6,16-triméthoxy-4-(méthoxyméthyl)-20-méthylaconitan-14-yle [French] [ACD/IUPAC Name]
7,9-Methanonaphth[2,3-b]azocine-4,8,9,11, 11a(1H,7H)-pentol, decahydro-6,10, 13-trimethoxy-3-(methoxymethyl)-1-methyl-2H-12,3, 6a-ethanylylidene-, 11a-acetate 8-benzoate
7,9-Methanonaphth[2,3-b]azocine-4,8,9,11,11a(1H,7H)-pentol, decahydro-6,10,13-trimethoxy-3-(methoxymethyl)-1-methyl-2H-12,3,6a-ethanylylidene-, 11a-acetate 8-benzoate
82640-04-8 [RN]
Aconitane-3,8,13,14,15-pentol, 1,6, 16-trimethoxy-4- (methoxymethyl)-20-methyl-, 8-acetate 14-benzoate, (1α,3α,6α,14α,15α,16β)-
Aconitane-3,8,13,14,15-pentol, 1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-, 8-acetate 14-benzoate, (1α,3α,6α,14α,15α,16β)-
mesaconitine

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

NSC77210 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 708.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.8±3.0 kJ/mol
Flash Point: 382.4±32.9 °C
Index of Refraction: 1.618
Molar Refractivity: 158.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -0.14
ACD/LogD (pH 5.5): 0.98
ACD/BCF (pH 5.5): 2.89
ACD/KOC (pH 5.5): 63.52
ACD/LogD (pH 7.4): 1.22
ACD/BCF (pH 7.4): 4.97
ACD/KOC (pH 7.4): 109.46
Polar Surface Area: 153 Å2
Polarizability: 62.8±0.5 10-24cm3
Surface Tension: 64.4±5.0 dyne/cm
Molar Volume: 452.2±5.0 cm3

Click to predict properties on the Chemicalize site


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