Found 34 results

Search term: MF = 'C_{33}H_{47}NO_{9}'
ChemSpider 2D Image | (1alpha,6alpha,14beta,16beta)-20-Ethyl-8,13-dihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl 4-methoxybenzoate | C33H47NO9

(1α,6α,14β,16β)-20-Ethyl-8,13-dihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl 4-methoxybenzoate

  • Molecular FormulaC33H47NO9
  • Average mass601.728 Da
  • Monoisotopic mass601.325073 Da
  • ChemSpider ID50645157

  • defined stereocentres - 12 of 13 defined stereocentres

More details:

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

(1α,6α,14β,16β)-20-Ethyl-8,13-dihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl 4-methoxybenzoate [ACD/IUPAC Name]
(1α,6α,14β,16β)-20-Ethyl-8,13-dihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl-4-methoxybenzoat [German] [ACD/IUPAC Name]
4-Méthoxybenzoate de (1α,6α,14β,16β)-20-éthyl-8,13-dihydroxy-1,6,16-triméthoxy-4-(méthoxyméthyl)aconitan-14-yle [French] [ACD/IUPAC Name]
Benzoic acid, 4-methoxy-, (1α,6α,14β,16β)-20-ethyl-8,13-dihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl ester [ACD/Index Name]
128717-96-4 [RN]
3-deoxy-8-deacetylyunaconintine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 687.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.9±3.0 kJ/mol
Flash Point: 369.8±31.5 °C
Index of Refraction: 1.603
Molar Refractivity: 156.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 1.53
ACD/LogD (pH 5.5): 1.40
ACD/BCF (pH 5.5): 3.77
ACD/KOC (pH 5.5): 44.04
ACD/LogD (pH 7.4): 2.44
ACD/BCF (pH 7.4): 40.56
ACD/KOC (pH 7.4): 474.35
Polar Surface Area: 116 Å2
Polarizability: 62.2±0.5 10-24cm3
Surface Tension: 58.2±5.0 dyne/cm
Molar Volume: 456.6±5.0 cm3

Click to predict properties on the Chemicalize site


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