Found 60 results

Search term: MF = 'C_{24}H_{37}NO_{7}'
ChemSpider 2D Image | (1alpha,6beta,16beta)-20-Ethyl-1,7,8-trihydroxy-6,16-dimethoxy-4-(methoxymethyl)aconitan-14-one | C24H37NO7

(1α,6β,16β)-20-Ethyl-1,7,8-trihydroxy-6,16-dimethoxy-4-(methoxymethyl)aconitan-14-one

  • Molecular FormulaC24H37NO7
  • Average mass451.553 Da
  • Monoisotopic mass451.256989 Da
  • ChemSpider ID108341269

  • defined stereocentres - 11 of 12 defined stereocentres

More details:

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

(1α,6β,16β)-20-Ethyl-1,7,8-trihydroxy-6,16-dimethoxy-4-(methoxymethyl)aconitan-14-on [German] [ACD/IUPAC Name]
(1α,6β,16β)-20-Ethyl-1,7,8-trihydroxy-6,16-dimethoxy-4-(methoxymethyl)aconitan-14-one [ACD/IUPAC Name]
(1α,6β,16β)-20-Éthyl-1,7,8-trihydroxy-6,16-diméthoxy-4-(méthoxyméthyl)aconitan-14-one [French] [ACD/IUPAC Name]
Aconitan-14-one, 20-ethyl-1,7,8-trihydroxy-6,16-dimethoxy-4-(methoxymethyl)-, (1α,6β,16β)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 593.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.6±6.0 kJ/mol
Flash Point: 312.8±30.1 °C
Index of Refraction: 1.613
Molar Refractivity: 114.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.28
ACD/LogD (pH 5.5): -0.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.59
ACD/LogD (pH 7.4): 0.44
ACD/BCF (pH 7.4): 1.22
ACD/KOC (pH 7.4): 37.92
Polar Surface Area: 109 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 62.7±5.0 dyne/cm
Molar Volume: 329.4±5.0 cm3

Click to predict properties on the Chemicalize site


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